Introduction：Basic information about CAS 83463-62-1|UNII:SHY3J1BBQ6, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | UNII:SHY3J1BBQ6 |
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| CAS Number | 83463-62-1 | Molecular Weight | 154.393 |
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| Density | 1.9±0.1 g/cm3 | Boiling Point | 121.1±20.0 °C at 760 mmHg |
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| Molecular Formula | C2HBrClN | Melting Point | / |
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| MSDS | / | Flash Point | 27.1±21.8 °C |
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Names
| Name | Bromochloroacetonitrile |
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| Synonym | More Synonyms |
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UNII:SHY3J1BBQ6 BiologicalActivity
| Description | Bromochloroacetonitrile is a by-product of the chlorine disinfection of water containing natural organic material. Bromochloroacetonitrile possesses direct acting mutagenic activity and is capable of inducing DNA strand breakage[1]. |
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| Related Catalog | Signaling Pathways >>Cell Cycle/DNA Damage >>DNA/RNA SynthesisResearch Areas >>Others |
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| In Vitro | Bromochloroacetonitrile (BCAN) induces sister chromatid exchange in Chinese hamster ovary cells[1]. |
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| References | [1]. Suzanne A. et al.The developmental toxicity of bromochloroacetonitrile in pregnant long‐evans rats, International Journal of Environmental Health Research, 5:2, 175-188. |
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Chemical & Physical Properties
| Density | 1.9±0.1 g/cm3 |
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| Boiling Point | 121.1±20.0 °C at 760 mmHg |
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| Molecular Formula | C2HBrClN |
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| Molecular Weight | 154.393 |
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| Flash Point | 27.1±21.8 °C |
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| Exact Mass | 152.898087 |
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| PSA | 23.79000 |
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| LogP | 1.23 |
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| Vapour Pressure | 14.8±0.2 mmHg at 25°C |
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| Index of Refraction | 1.507 |
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| InChIKey | BMWPPNAUMLRKML-UHFFFAOYSA-N |
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| SMILES | N#CC(Cl)Br |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- AL8010000
- CHEMICAL NAME :
- Acetonitrile, bromochloro-
- CAS REGISTRY NUMBER :
- 83463-62-1
- LAST UPDATED :
- 199607
- DATA ITEMS CITED :
- 14
- MOLECULAR FORMULA :
- C2-H-Br-Cl-N
- MOLECULAR WEIGHT :
- 154.40
- WISWESSER LINE NOTATION :
- NCYGE
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 2400 mg/kg/2W-I
- TOXIC EFFECTS :
- Tumorigenic - Carcinogenic by RTECS criteria Skin and Appendages - tumors
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- DOSE :
- 825 mg/kg
- SEX/DURATION :
- female 7-21 day(s) after conception
- TOXIC EFFECTS :
- Reproductive - Effects on Newborn - growth statistics (e.g.%, reduced weight gain)
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- DOSE :
- 845 mg/kg
- SEX/DURATION :
- female 6-18 day(s) after conception
- TOXIC EFFECTS :
- Reproductive - Maternal Effects - other effects
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- DOSE :
- 585 mg/kg
- SEX/DURATION :
- female 6-18 day(s) after conception
- TOXIC EFFECTS :
- Reproductive - Fertility - litter size (e.g. # fetuses per litter; measured before birth) Reproductive - Specific Developmental Abnormalities - musculoskeletal system
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- DOSE :
- 65 mg/kg
- SEX/DURATION :
- female 6-18 day(s) after conception
- TOXIC EFFECTS :
- Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus) Reproductive - Specific Developmental Abnormalities - cardiovascular (circulatory) system
- TYPE OF TEST :
- Micronucleus test
MUTATION DATA - TYPE OF TEST :
- Sister chromatid exchange
- TEST SYSTEM :
- Rodent - hamster Ovary
- DOSE/DURATION :
- 4200 nmol/L
- REFERENCE :
- FAATDF Fundamental and Applied Toxicology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1981- Volume(issue)/page/year: 5,1065,1985 *** REVIEWS *** IARC Cancer Review:Animal Inadequate Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 52,269,1991 IARC Cancer Review:Human No Available Data IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 52,269,1991 IARC Cancer Review:Group 3 IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 52,269,1991
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Safety Information
| Hazard Codes | Xn |
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| Risk Phrases | R23/24/25;R34 |
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| Safety Phrases | S26-S36/37/39-S45 |
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| RIDADR | UN 1760 |
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| RTECS | AL8010000 |
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| Packaging Group | III |
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| Hazard Class | 8 |
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| HS Code | 2926909090 |
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Customs
| HS Code | 2926909090 |
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| Summary | HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0% |
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Synonyms
| Acetonitrile, 2-bromo-2-chloro- |
| BROMOCHLOROACETONITRILE |
| Bromo(chloro)acetonitrile |
| UNII:SHY3J1BBQ6 |
| 2-bromo-2-chloroacetonitrile |
