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Substance Name: Benzoyl chloride
RN: 98-88-4
UNII: VTY8706W36
InChIKey: PASDCCFISLVPSO-UHFFFAOYSA-N
Note
- Potential carcinogens in manufacturing process.
Molecular Formula
- C7-H5-Cl-O
Molecular Weight
- 140.568
- All
- Classifications
- Links to Resources
- Names & Synonyms
- Registry Numbers
- Structure Descriptors
- Toxicity
- Physical Properties
Classification Codes
Classification Codes
- Human Data
- Mutation Data
- Tumor Data
Superlist Classification Codes
- Ceiling (0.5 ppm); Not classifiable as a human carcinogen
- Overall Carcinogenic Evaluation: Group 2A
- Reportable Quantity (RQ) = 1000 lb
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Names and Synonyms
Name of Substance
- Benzoyl chloride
Synonyms
- 4-09-00-00721 (Beilstein Handbook Reference)
- alpha-Chlorobenzaldehyde
- Benzaldehyde, alpha-chloro-
- Benzenecarbonyl chloride
- Benzoic acid, chloride
- Benzoyl chloride
- BRN 0471389
- CCRIS 802
- EC 202-710-8
- EINECS 202-710-8
- HSDB 383
- UNII-VTY8706W36
Systematic Name
- Benzoyl chloride
Superlist Names
- Benzoyl chloride
- Benzoyl chloride [UN1736] [Corrosive]
- UN1736
Registry Numbers
CAS Registry Number
- 98-88-4
FDA UNII
- VTY8706W36
Other Registry Numbers
- 1258517-80-4
- 1640987-68-3
System Generated Number
- 0000098884
Structure Descriptors
InChI
1S/C7H5ClO/c8-7(9)6-4-2-1-3-5-6/h1-5HInChIKey
PASDCCFISLVPSO-UHFFFAOYSA-NSmiles
c1(ccccc1)Toxicity
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| human | TCLo | inhalation | 2ppm/1M (2ppm) | SENSE ORGANS AND SPECIAL SENSES: OTHER CHANGES: OLFACTION LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES | "Handbook of Organic Industrial Solvents," 2nd ed., Chicago, National Assoc. of Mutual Casualty Companies, 1961Vol. 2, Pg. 31, 1961. |
| rat | LC50 | inhalation | 1870mg/m3/2H (1870mg/m3) | "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 25, 1982. | |
| rat | LD50 | oral | 1900mg/kg (1900mg/kg) | Office of Toxic Substances Report. Vol. FYI-OTS-1180-0107, |
Physical Properties
| Physical Property | Value | Units | Temp (deg C) | Source |
|---|---|---|---|---|
| Melting Point | -1 | deg C | EXP | |
| Boiling Point | 197.2 | deg C | EXP | |
| log P (octanol-water) | 1.440 | (none) | EST | |
| Water Solubility | 4940 | mg/L | 25 | EST |
| Henry's Law Constant | 1.23E-04 | atm-m3/mole | 25 | EST |
| Atmospheric OH Rate Constant | 1.78E-12 | cm3/molecule-sec | 25 | EST |
Physical property data is provided to ChemIDplus by SRC, Inc.