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4-tert-Butylbenzoicacid

4-tert-Butylbenzoicacid structure

CAS No:
1077-58-3
Formula:
C11H14O2
Chemical Name:
4-tert-Butylbenzoicacid
Synonyms:
2-tert-Butylbenzoic acid;2-(tert-Butyl)benzoic acid;tert-Butylbenzoic acid;o-tert-butylbenzoic acid;UNII-10J83R40WM;10J83R40WM;2-(1,1-dimethylethyl)benzoic acid;1320-16-7;2-tert-Butylbenzoicacid;2-tert-butyl-benzoic acid
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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4-tert-Butylbenzoicacid Basic Attributes

Molecular Weight：

178.22800

Exact Mass：

178.09900

EC Number：

215-299-5

UNII：

10J83R40WM

NSC Number：

86592

HScode：

2916399090

Characteristics

PSA：

37.30000

XLogP3：

2.68230

Density：

1.056g/cm3

Boiling Point：

283.8ºC at 760mmHg

Flash Point：

135.1ºC

Refractive Index：

1.523

Vapor Pressure：

0.00146mmHg at 25°C

Safety Information

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

4-tert-Butylbenzoicacid Use and Manufacturing

Manufacturing Info：

Benzoic acid, (1,1-dimethylethyl)-: INACTIVE

Computed Properties

Molecular Weight:178.23
XLogP3:3.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:178.099379685
Monoisotopic Mass:178.099379685
Topological Polar Surface Area:37.3
Heavy Atom Count:13
Complexity:191
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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