2-Iodobenzaldehyde

物化性质

熔点：

255-265ºC

沸点：

345.6ºC at 760 mmHg

闪点：

162.8ºC

安全信息

熔点：

255-265ºC

沸点：

345.6ºC at 760 mmHg

闪点：

162.8ºC

毒理性

CHEMICAL IDENTIFICATION

RTECS NUMBER :

MF3240000

CAS REGISTRY NUMBER :

60-02-6

LAST UPDATED :

199612

DATA ITEMS CITED :

11

MOLECULAR FORMULA :

C20-H44-N8.H2-O4-S

MOLECULAR WEIGHT :

494.80

WISWESSER LINE NOTATION :

T8NTJ A2MYZUM & 2WSQQ

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 :

1 gm/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

REFERENCE :

JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 128,22,1960

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Intravenous

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

23 mg/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

REFERENCE :

JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 128,22,1960

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

1100 mg/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

REFERENCE :

URXXAF U.S.S.R. Patent Document. (Gosudarstvennyi Komitet SSSR po Delam Izobretenii i Otkrytii, Malyi Tcherkasski pereulok 2/6, Moscow, Russia). Volume(issue)/page/year: #0822829

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Intraperitoneal

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

112 mg/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

REFERENCE :

URXXAF U.S.S.R. Patent Document. (Gosudarstvennyi Komitet SSSR po Delam Izobretenii i Otkrytii, Malyi Tcherkasski pereulok 2/6, Moscow, Russia). Volume(issue)/page/year: #0822829

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Subcutaneous

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

278 mg/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

REFERENCE :

URXXAF U.S.S.R. Patent Document. (Gosudarstvennyi Komitet SSSR po Delam Izobretenii i Otkrytii, Malyi Tcherkasski pereulok 2/6, Moscow, Russia). Volume(issue)/page/year: #0822829

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Intravenous

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

18 mg/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

REFERENCE :

CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#08547 ** OTHER MULTIPLE DOSE TOXICITY DATA **

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Intraperitoneal

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

3680 mg/kg/92D-I

TOXIC EFFECTS :

Peripheral Nerve and Sensation - structural change in nerve or sheath Vascular - BP lowering not characterized in autonomic section Nutritional and Gross Metabolic - weight loss or decreased weight gain

REFERENCE :

APTOA6 Acta Pharmacologica et Toxicologica. (Copenhagen, Denmark) V.1-59, 1945-86. For publisher information, see PHTOEH Volume(issue)/page/year: 41,209,1977 ** REPRODUCTIVE DATA **

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Unreported

DOSE :

391 mg/kg

SEX/DURATION :

male 78 week(s) pre-mating

TOXIC EFFECTS :

Reproductive - Paternal Effects - other effects on male Reproductive - Fertility - male fertility index (e.g. # males impregnating females per # males exposed to fertile nonpregnant females)

REFERENCE :

JSXRAJ Journal of Sex Research. (Soc. for the Scientific Study of Sex, Inc., Mt. Royal & Guilford Aves., Baltimore, MD 21202) V.1- 1965- Volume(issue)/page/year: 3,69,1967

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Intramuscular

DOSE :

1400 mg/kg

SEX/DURATION :

male 56 day(s) pre-mating

TOXIC EFFECTS :

Reproductive - Paternal Effects - other effects on male Reproductive - Fertility - male fertility index (e.g. # males impregnating females per # males exposed to fertile nonpregnant females)

REFERENCE :

BJPCBM British Journal of Pharmacology. (Macmillan Press Ltd., Houndmills, Basingstoke, Hants. RG21 2XS, UK) V.34- 1968- Volume(issue)/page/year: 48,30,1973

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Parenteral

DOSE :

900 mg/kg

SEX/DURATION :

female 14 day(s) pre-mating female 1-22 day(s) after conception

TOXIC EFFECTS :

Reproductive - Effects on Newborn - other postnatal measures or effects

REFERENCE :

JRPFA4 Journal of Reproduction and Fertility. (Biochemical Soc. Book Depot, POB 32, Commerce Way, Colchester, Essex CO2 8HP, UK) V.1- 1960- Volume(issue)/page/year: 56,715,1979 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA ***NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X6127 No. of Facilities: 89 (estimated) No. of Industries: 1 No. of Occupations: 1 No. of Employees: 2323 (estimated) No. of Female Employees: 1200 (estimated)

毒理学数据：

1、急性毒性：大鼠经口 LD50：1mg/kg；大鼠静脉LD50：23mg/kg；小鼠经口LD50：1100mg/kg；小鼠腹腔LD50： 112mg/kg；

分子结构与计算化学数据

计算化学数据

1、 计疏水参数计算参考值（XlogP）：

2、 氢键供体数量：6

3、 氢键受体数量：12

4、 可旋转化学键数量：6

5、 互变异构体数量：3

6、 拓扑分子极性表面积（TPSA）：210

7、 重原子数量：33

8、 表面电荷：0

9、 复杂度：248

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：3