bismerthiazol

物化性质

密度：

2.12g/cm3

沸点：

415.4ºC at 760 mmHg

闪点：

205ºC

折射率：

2.087

存储条件/存储方法：

库房通风低温干燥,与食品原料分开储运

稳定性相关：

生产过程中使用二硫化碳等有毒或腐蚀性物品，同时环合反应产生硫化氢气体，因此，设备必须密闭，车间应保持良好的通风状态，硫化氢气体须经吸收处理才能排空。

其它信息：

1. 性状：浅黄色细粉或白色柱状结晶。

2.溶点（ºC）：189～190

3. 溶解性：难溶于水，溶于乙醇、甲醇、吡啶、二甲基甲酰胺、二甲基亚砜等有机溶剂。

安全信息

密度：

2.12g/cm3

沸点：

415.4ºC at 760 mmHg

闪点：

205ºC

折射率：

2.087

存储条件/存储方法：

库房通风低温干燥,与食品原料分开储运

稳定性相关：

生产过程中使用二硫化碳等有毒或腐蚀性物品，同时环合反应产生硫化氢气体，因此，设备必须密闭，车间应保持良好的通风状态，硫化氢气体须经吸收处理才能排空。

其它信息：

1. 性状：浅黄色细粉或白色柱状结晶。

2.溶点（ºC）：189～190

3. 溶解性：难溶于水，溶于乙醇、甲醇、吡啶、二甲基甲酰胺、二甲基亚砜等有机溶剂。

毒理性

CHEMICAL IDENTIFICATION

RTECS NUMBER :

XI4816000

CHEMICAL NAME :

1,3,4-Thiadiazole-2(3H)-thione, 5,5'-(methylenediimino)bis-

CAS REGISTRY NUMBER :

79319-85-0

LAST UPDATED :

198703

DATA ITEMS CITED :

3

MOLECULAR FORMULA :

C5-H6-N6-S4

MOLECULAR WEIGHT :

278.41

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

4640 mg/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

6810 mg/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

MUTATION DATA

TYPE OF TEST :

Unscheduled DNA synthesis

TEST SYSTEM :

Human Cells - not otherwise specified

DOSE/DURATION :

500 umol/L

REFERENCE :

ZYDXDM Zhejiang Yike Daxue Xuebao. Journal of Zhejiang Medical University. (Zhejiang Yike Daxue, Yan'an Lu, Hanzhou, Zhejiang, Peop. Rep. China) V.1- 1972(?)- Volume(issue)/page/year: 14,267,1985

毒理学数据：

口服- 大鼠 LD50: 4640 毫克/公斤; 口服- 小鼠 LD50: 6810 毫克/ 公斤

MSDS

SECTION 1: Identification of the substance/mixture and of the company/undertaking
Product identifiers
Product name: Bismerthiazol
REACH No.: A registration number is not available for this substance as the substance
or its uses are exempted from registration, the annual tonnage does not
require a registration or the registration is envisaged for a later
registration deadline.
CAS-No.: 79319-85-0
Relevant identified uses of the substance or mixture and uses advised against
Identified uses: Laboratory chemicals, Manufacture of substances


SECTION 2: Hazards identification
Classification of the substance or mixture
Not a hazardous substance or mixture according to Regulation (EC) No 1272/2008
This substance is not classified as dangerous according to Directive 67/548/EEC.
Label elements
Other hazards - none
SECTION 3: Composition/information on ingredients
Substances
: N,N′-Methylene-bis(2-amino-5-sulfhydryl-1,3,4-thiadiazole)
Synonyms
Formula: C5H6N6S4
Molecular Weight: 278,4 g/mol
CAS-No.: 79319-85-0
No components need to be disclosed according to the applicable regulations.
SECTION 4: First aid measures
Description of first aid measures
General advice
Consult a physician. Show this safety data sheet to the doctor in attendance.
If inhaled
If breathed in, move person into fresh air. If not breathing, give artificial respiration. Consult a physician.
In case of skin contact
Wash off with soap and plenty of water. Consult a physician.
In case of eye contact
Flush eyes with water as a precaution.
If swallowed
Never give anything by mouth to an unconscious person. Rinse mouth with water. Consult a physician.
Most important symptoms and effects, both acute and delayed
The most important known symptoms and effects are described in the labelling (see section 2.2) and/or in
section 11
Indication of any immediate medical attention and special treatment needed
no data available
SECTION 5: Firefighting measures
Extinguishing media
Suitable extinguishing media
Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide.
Special hazards arising from the substance or mixture
Carbon oxides, nitrogen oxides (NOx), Sulphur oxides
Advice for firefighters
Wear self contained breathing apparatus for fire fighting if necessary.
Further information
no data available
SECTION 6: Accidental release measures
Personal precautions, protective equipment and emergency procedures
Use personal protective equipment. Avoid dust formation. Avoid breathing vapours, mist or gas. Avoid
breathing dust.
For personal protection see section 8.
Environmental precautions
Do not let product enter drains.
Methods and materials for containment and cleaning up
Pick up and arrange disposal without creating dust. Sweep up and shovel. Keep in suitable, closed
containers for disposal.
Reference to other sections
For disposal see section 13.
SECTION 7: Handling and storage
Precautions for safe handling
Avoid formation of dust and aerosols.
Provide appropriate exhaust ventilation at places where dust is formed.Normal measures for preventive fire
protection.
For precautions see section 2.2.
Conditions for safe storage, including any incompatibilities
Store in cool place. Keep container tightly closed in a dry and well-ventilated place.
Specific end use(s)
A part from the uses mentioned in section 1.2 no other specific uses are stipulated
SECTION 8: Exposure controls/personal protection
Control parameters
Components with workplace control parameters
Exposure controls
Appropriate engineering controls
Handle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and
at the end of workday.
Personal protective equipment
Eye/face protection
Use equipment for eye protection tested and approved under appropriate government standards
such as NIOSH (US) or EN 166(EU).
Skin protection
Handle with gloves. Gloves must be inspected prior to use. Use proper glove removal technique
(without touching glove's outer surface) to avoid skin contact with this product. Dispose of
contaminated gloves after use in accordance with applicable laws and good laboratory practices.
Wash and dry hands.
The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and
the standard EN 374 derived from it.
Full contact
Material: Nitrile rubber
Minimum layer thickness: 0,11 mm
Break through time: 480 min
Material tested:Dermatril® (KCL 740 / Z677272, Size M)
Splash contact
Material: Nitrile rubber
Minimum layer thickness: 0,11 mm
Break through time: 480 min
Material tested:Dermatril® (KCL 740 / Z677272, Size M)
data source: KCL GmbH, D-36124 Eichenzell, phone +49 (0)6659 87300, test method: EN374
If used in solution, or mixed with other substances, and under conditions which differ from EN 374,
contact the supplier of the CE approved gloves. This recommendation is advisory only and must
be evaluated by an industrial hygienist and safety officer familiar with the specific situation of
anticipated use by our customers. It should not be construed as offering an approval for any
specific use scenario.
Body Protection
Choose body protection in relation to its type, to the concentration and amount of dangerous
substances, and to the specific work-place., The type of protective equipment must be selected
according to the concentration and amount of the dangerous substance at the specific workplace.
Respiratory protection
Respiratory protection is not required. Where protection from nuisance levels of dusts are desired,
use type N95 (US) or type P1 (EN 143) dust masks. Use respirators and components tested and
approved under appropriate government standards such as NIOSH (US) or CEN (EU).
Control of environmental exposure
Do not let product enter drains.
SECTION 9: Physical and chemical properties
Information on basic physical and chemical properties
a) AppearanceForm: crystalline
Colour: yellow
b) Odourno data available
c) Odour Thresholdno data available
d) pHno data available
e) Melting point/freezingMelting point/range: 194 - 198 °C
point
f) Initial boiling point and no data available
boiling range
g) Flash pointno data available
h) Evapouration rateno data available
i) Flammability (solid, gas) no data available
j) Upper/lowerno data available
flammability or
explosive limits
k) Vapour pressureno data available
l) Vapour densityno data available
m) Relative densityno data available
n) Water solubilityinsoluble
o) Partition coefficient: n- no data available
octanol/water
p) Auto-ignitionno data available
temperature
q) Decompositionno data available
temperature
r) Viscosityno data available
s) Explosive propertiesno data available
t) Oxidizing propertiesno data available
Other safety information
no data available
SECTION 10: Stability and reactivity
Reactivity
no data available
Chemical stability
Stable under recommended storage conditions.
Possibility of hazardous reactions
no data available
Conditions to avoid
no data available
Incompatible materials
Strong oxidizing agents
Hazardous decomposition products
Other decomposition products - no data available
In the event of fire: see section 5
SECTION 11: Toxicological information
Information on toxicological effects
Acute toxicity
LD50 Oral - rat - 4.640 mg/kg
Skin corrosion/irritation
no data available
Serious eye damage/eye irritation
no data available
Respiratory or skin sensitisation
no data available
Germ cell mutagenicity
Human
Other cell types
Unscheduled DNA synthesis
Carcinogenicity
IARC:No component of this product present at levels greater than or equal to 0.1% is identified as
probable, possible or confirmed human carcinogen by IARC.
Reproductive toxicity
no data available
Specific target organ toxicity - single exposure
no data available
Specific target organ toxicity - repeated exposure
no data available
Aspiration hazard
no data available
Additional Information
RTECS: XI4816000
SECTION 12: Ecological information
Toxicity
no data available
Persistence and degradability
no data available
Bioaccumulative potential
no data available
Mobility in soil
no data available
Results of PBT and vPvB assessment
PBT/vPvB assessment not available as chemical safety assessment not required/not conducted
Other adverse effects
no data available
SECTION 13: Disposal considerations
Waste treatment methods
Product
Offer surplus and non-recyclable solutions to a licensed disposal company. Contact a licensed
professional waste disposal service to dispose of this material. Dissolve or mix the material with a
combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber.
Contaminated packaging
Dispose of as unused product.
SECTION 14: Transport information
UN number
ADR/RID: -IMDG: -IATA: -
UN proper shipping name
ADR/RID: Not dangerous goods
IMDG: Not dangerous goods
IATA:Not dangerous goods
Transport hazard class(es)
ADR/RID: -IMDG: -IATA: -
Packaging group
ADR/RID: -IMDG: -IATA: -
Environmental hazards
ADR/RID: noIMDG Marine pollutant: noIATA: no
Special precautions for user
no data available
SECTION 15 - REGULATORY INFORMATION
N/A
SECTION 16 - ADDITIONAL INFORMATION
N/A

分子结构与计算化学数据

计算化学数据

1.疏水参数计算参考值（XlogP）:1.3

2.氢键供体数量:4

3.氢键受体数量:6

4.可旋转化学键数量:4

5.互变异构体数量:10

6.拓扑分子极性表面积188

7.重原子数量:15

8.表面电荷:0

9.复杂度:329

10.同位素原子数量:0

11.确定原子立构中心数量:0

12.不确定原子立构中心数量:0

13.确定化学键立构中心数量:0

14.不确定化学键立构中心数量:0

15.共价键单元数量:1