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(2-Chloro-2-phenylethyl)benzene

HCID 20838
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Basic information

CAS
4714-14-1
Standard SMILES
ClC(Cc1ccccc1)c1ccccc1
InChIKey
UVROAJFELBNMRA-UHFFFAOYSA-N
Molecular formula
C14H13Cl
Average molar mass
216.7 g/mol
Monoisotopic mass
216.0705781

Names & identifiers

Preferred name
(2-Chloro-2-phenylethyl)benzene
IUPAC
(1-chloro-2-phenylethyl)benzene

Names & synonyms

(2-chloro-2-phenylethyl)benzeneRefChem:395578866-816-14714-14-1(1-chloro-2-phenylethyl)benzene1,2-Diphenyl chloroethaneNSC931-chloro-1,2-diphenylethane2-chloro-1,2-diphenylethane.ALPHA.-CHLORODIBENZYLSCHEMBL253443NSC 93
Show more names
NSC-93SCHEMBL1533397SCHEMBL32434051,2-DIPHENYLCHLOROETHANEUVROAJFELBNMRA-UHFFFAOYSA-NEAA71414AKOS002663181DS-008232

Database identifiers

CAS
4714-14-1
PubChem CID
20838
EC Number
866-816-1
Nikkaji
J1.560.297J

Properties

Computed structural properties

XLogP
4.3
Topological polar surface area
0 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
0
Rotatable bonds
3
Heavy atoms
15
Formal charge
0
Complexity
166

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P273, 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%)

Related reactions

2 records
New reaction record
HRID 363999 reaction equation
HRID 363999As productuspto-grants-1986_08
HRID 2158443 reaction equation
HRID 2158443As productTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

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