UNII:SHY3J1BBQ6

Names

[ Name ]:
UNII:SHY3J1BBQ6

[Synonym ]:
Acetonitrile, 2-bromo-2-chloro-
BROMOCHLOROACETONITRILE
Bromo(chloro)acetonitrile
UNII:SHY3J1BBQ6
2-bromo-2-chloroacetonitrile

Biological Activity

[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].

[Related Catalog]:

Signaling Pathways >> Cell Cycle/DNA Damage >> DNA/RNA Synthesis

Research Areas >> Others

[In Vitro]

Bromochloroacetonitrile (BCAN) induces sister chromatid exchange in Chinese hamster ovary cells[1].

[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.

Chemical & Physical Properties

[ Density]:
1.9±0.1 g/cm3

[ Boiling Point ]:
121.1±20.0 °C at 760 mmHg

[ Molecular Formula ]:
C₂HBrClN

[ Molecular Weight ]:
154.393

[ Flash Point ]:
27.1±21.8 °C

[ Exact Mass ]:
152.898087

[ PSA ]:
23.79000

[ LogP ]:
1.23

[ Vapour Pressure ]:
14.8±0.2 mmHg at 25°C

[ Index of Refraction ]:
1.507

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 DATA

ACUTE 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

Safety Information

[ Hazard Codes ]:
Xn

[ Risk Phrases ]:
R23/24/25;R34

[ Safety Phrases ]:
S26-S36/37/39-S45

[ RIDADR ]:
UN 1760

[ RTECS ]:
AL8010000

[ Packaging Group ]:
III

[ Hazard Class ]:
8

[ HS Code ]:
2926909090

Synthetic Route

Click to get detail synthetic route

Customs

[ HS Code ]: 2926909090

[ 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%