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Substance Name: Benzyl chloride
RN: 100-44-7
UNII: 83H19HW7K6
InChIKey: KCXMKQUNVWSEMD-UHFFFAOYSA-N
Molecular Formula
- C7-H7-Cl
Molecular Weight
- 126.5853
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- Classifications
- Links to Resources
- Names & Synonyms
- Registry Numbers
- Structure Descriptors
- Toxicity
- Physical Properties
Classification Codes
Classification Codes
- Mutation Data
- Reproductive Effect
- Tumor Data
Superlist Classification Codes
- Overall Carcinogenic Evaluation: Group 2A
- Reportable Quantity (RQ) = 100 lb
- Threshold Planning Quantity (TPQ) = 500 lb
- TWA (1 ppm); Confirmed animal carcinogen with unknown relevance to humans
- TWA 1 ppm (5 mg/m3)
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Names and Synonyms
Name of Substance
- Benzyl chloride
Synonyms
- AI3-15518
- alpha-Chlorotoluene
- alpha-Chlortoluol
- alpha-Chlortoluol [German]
- Benzene, (chloromethyl)-
- Benzile (cloruro di)
- Benzile (cloruro di) [Italian]
- Benzyl chloride
- Benzylchlorid
- Benzylchlorid [German]
- Benzylchloride
- Benzyle (chlorure de)
- Benzyle (chlorure de) [French]
- CCRIS 79
- Chloromethylbenzene
- Chlorophenylmethane
- Chlorure de benzyle
- Chlorure de benzyle [French]
- EC 202-853-6
- EINECS 202-853-6
- HSDB 368
- NCI-C06360
- NSC 8043
- RCRA waste number P028
- Toluene, alpha-chloro-
- Tolyl chloride
- UNII-83H19HW7K6
Systematic Names
- (Chloromethyl)benzene
- alpha-Chlorotoluene
- Benzene, (chloromethyl)-
- Benzyl chloride
- Toluene, alpha-chloro-
Superlist Names
- alpha-Chlorotoluene
- Benzene, chloromethyl-
- Benzyl chloride
- Benzyl chloride [UN1738] [Poison]
- Benzyl chloride, unstabilized
- Benzyl chloride, unstabilized [UN1738] [Poison, Corrosive]
- RCRA waste no. P028
- Toluene, alpha-chloro-
- UN1738
Registry Numbers
CAS Registry Number
- 100-44-7
FDA UNII
- 83H19HW7K6
System Generated Number
- 0000100447
Structure Descriptors
InChI
InChI=1S/C7H7Cl/c8-6-7-4-2-1-3-5-7/h1-5H,6H2InChIKey
KCXMKQUNVWSEMD-UHFFFAOYSA-NSmiles
ClCc1ccccc1Toxicity
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| cat | LCLo | inhalation | 400ppm/8H (400ppm) | LUNGS, THORAX, OR RESPIRATION: COUGH LUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMA SENSE ORGANS AND SPECIAL SENSES: CORNEAL DAMAGE: EYE | National Technical Information Service. Vol. OTS0572390, |
| guinea pig | LDLo | skin | 10mL/kg (10mL/kg) | National Technical Information Service. Vol. OTS0572390, | |
| mammal (species unspecified) | LC50 | inhalation | 390mg/m3 (390mg/m3) | Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 30(3), Pg. 6, 1986. | |
| mammal (species unspecified) | LD50 | oral | 1500mg/kg (1500mg/kg) | Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 40(1), Pg. 92, 1975. | |
| mouse | LC50 | inhalation | 80ppm/2H (80ppm) | LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION | IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. Vol. 11, Pg. 217, 1976. |
| mouse | LD50 | oral | 1500mg/kg (1500mg/kg) | "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 25, 1982. | |
| mouse | LD50 | unreported | 780mg/kg (780mg/kg) | Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 44(3), Pg. 11, 1979. | |
| rat | LC50 | inhalation | 150ppm/2H (150ppm) | LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION | IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. Vol. 11, Pg. 217, 1976. |
| rat | LD50 | oral | 1231mg/kg (1231mg/kg) | National Technical Information Service. Vol. PB214-270, | |
| rat | LD50 | subcutaneous | 1gm/kg (1000mg/kg) | Zeitschrift fuer Krebsforschung. Vol. 74, Pg. 241, 1970. | |
| rat | LD50 | unreported | 625mg/kg (625mg/kg) | Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 44(3), Pg. 11, 1979. |
Physical Properties
| Physical Property | Value | Units | Temp (deg C) | Source |
|---|---|---|---|---|
| Melting Point | -4.50E+01 | deg C | EXP | |
| Boiling Point | 179 | deg C | EXP | |
| log P (octanol-water) | 2.3 | (none) | EXP | |
| Water Solubility | 525 | mg/L | 25 | EXP |
| Vapor Pressure | 1.23 | mm Hg | 25 | EXP |
| Henry's Law Constant | 4.12E-04 | atm-m3/mole | 25 | EST |
| Atmospheric OH Rate Constant | 2.90E-12 | cm3/molecule-sec | 25 | EXP |
Physical property data is provided to ChemIDplus by SRC, Inc.