2-(Trichloromethyl)benzonitrile

HCID 305285
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Basic information

CAS
2635-68-9
Standard SMILES
N#Cc1ccccc1C(Cl)(Cl)Cl
InChIKey
GBKJYWAWSNXSIQ-UHFFFAOYSA-N
Molecular formula
C8H4Cl3N
Average molar mass
220.5 g/mol
Monoisotopic mass
218.94093217

Names & identifiers

Preferred name
2-(Trichloromethyl)benzonitrile
IUPAC
2-(trichloromethyl)benzonitrile
English name
2-(TRICHLOROMETHYL)BENZONITRILE
Molecular formula
C8H4Cl3N
Molecular weight
220.48

Names & synonyms

2-(trichloromethyl)benzonitrile2635-68-9Benzonitrile, 2-(trichloromethyl)-MFCD002182612-trichloromethylbenzonitrileNSC202048SCHEMBL7567533DTXSID60308094GBKJYWAWSNXSIQ-UHFFFAOYSA-NNSC-202048DB-0257232-(trichloromethyl)benzenecarbonitrile

Database identifiers

CAS
2635-68-9
PubChem CID
305285
DTXSID
DTXSID60308094
Nikkaji
J657.282K

Properties

Computed structural properties

XLogP
3.5
Topological polar surface area
23.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
0
Heavy atoms
12

Physicochemical properties

Symbol(GHS)
6 · GHS06
Signal word
Danger
Hazard statements
301 · H301+H311+H331
Precautionary statements
260 · P260-P280-P301+P310
HS Code
2926907090 · 2926907090

Safety & regulation

Safety data

hs_code
2926907090
Signal word
Danger
Symbol(GHS)
GHS06
Hazard statements
H301+H311+H331
Precautionary statements
P260-P280-P301+P310

Chemistry & industry

Suppliers6 total

Ryan Scientific, Inc.[email protected]
UBICHEM-RES[email protected]
深圳爱拓化学有限公司0755- 33239182 · [email protected]
APOLLO-NMR[email protected]
Service Chemical Inc.[email protected]

Related reactions

2 records
New reaction record

Compound notes

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