(4-Bromo-3-chlorophenyl)acetonitrile

HCID 59627726
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Basic information

CAS
1259023-29-4
Standard SMILES
N#CCc1ccc(Br)c(Cl)c1
InChIKey
QPUYVYUBRXYIII-UHFFFAOYSA-N
Molecular formula
C8H5BrClN
Average molar mass
230.49 g/mol
Monoisotopic mass
228.92939

Names & identifiers

Preferred name
(4-Bromo-3-chlorophenyl)acetonitrile
IUPAC
2-(4-bromo-3-chlorophenyl)acetonitrile
English name
2-(4-BroMo-3-chlorophenyl)acetonitrile
Molecular formula
C8H5BrClN
Molecular weight
230.49

Names & synonyms

1259023-29-4(4-Bromo-3-chlorophenyl)acetonitrileDTXSID40732530RefChem:208604DTXCID806832742-(4-Bromo-3-chlorophenyl)acetonitrile4-Bromo-3-chlorophenylacetonitrileMFCD18390590Benzeneacetonitrile, 4-bromo-3-chloro-2-(4-bromo-3-chloro-phenyl)acetonitrileSCHEMBL2125469CHEMBL4982903
Show more names
2-(4-bromo-3-chlorophenyl)ethylnitrile
SCHEMBL29899625Chloro-4-bromophenyl acetonitrileQPUYVYUBRXYIII-UHFFFAOYSA-NJAC02329AKOS023061081SY023662TS-03284DB-312618

Database identifiers

CAS
1259023-29-4
PubChem CID
59627726
DTXSID
DTXSID40732530
ChEMBL
CHEMBL4982903
EC Number
988-866-4

Properties

Computed structural properties

XLogP
2.9
Topological polar surface area
23.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
1
Heavy atoms
11

Physicochemical properties

Boiling point
324 · 324.0±27.0 °C(Predicted)
Density
1.603 · 1.603±0.06 g/cm3(Predicted)
storage temp.
Sealed in dry,Room Temperature

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Acute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；Acute Tox. 4 (100%)；STOT SE 3 (100%)

Chemistry & industry

Suppliers34 total

韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
石家庄衍晟生物科技有限公司18332018567; 18332018567 · [email protected]
无锡探索者医药科技有限公司0510-0510-86396359 13382276200 · [email protected]

Related reactions

2 records
New reaction record

Compound notes

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