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4-Chloro-β,β-bis(4-chlorophenyl)benzenepropanoic acid

4-Chloro-β,β-bis(4-chlorophenyl)benzenepropanoic acid structure

CAS No:
2168-06-1
Formula:
C21H15Cl3O2
Chemical Name:
4-Chloro-β,β-bis(4-chlorophenyl)benzenepropanoic acid
Synonyms:
Benzenepropanoic acid,4-chloro-β,β-bis(4-chlorophenyl)-;Propionic acid,3,3,3-tris(p-chlorophenyl)-;4-Chloro-β,β-bis(4-chlorophenyl)benzenepropanoic acid;3,3,3-Tris(4-chlorophenyl)propanoic acid

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4-Chloro-β,β-bis(4-chlorophenyl)benzenepropanoic acid Basic Attributes

Molecular Weight：

405.702

Exact Mass：

405.70

EC Number：

218-509-3

UNII：

LD3SB44ZHS

DSSTox ID：

DTXSID30176065

HScode：

2916399090

Characteristics

PSA：

37.30000

XLogP3：

6.7

Density：

1.4±0.1 g/cm3

Melting Point：

192-193 °C

Boiling Point：

505.8±45.0 °C at 760 mmHg

Flash Point：

259.7±28.7 °C

Refractive Index：

1.627

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

R36/37/38

safety instructions：

S26-S37/39

Marks：

Xi: Irritant;

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:405.7
XLogP3:6.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:5
Exact Mass:404.013763
Monoisotopic Mass:404.013763
Topological Polar Surface Area:37.3
Heavy Atom Count:26
Complexity:405
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-Chloro-β,β-bis(4-chlorophenyl)benzenepropanoic acid

Basic Attributes
Characteristics
Safety Information
Computed Properties
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4-Chloro-β,β-bis(4-chlorophenyl)benzenepropanoic acid

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