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4-BROMO-2-TERT-BUTYLPHENOL

4-BROMO-2-TERT-BUTYLPHENOL structure

CAS No:
10323-39-4
Formula:
C10H13BrO
Chemical Name:
4-BROMO-2-TERT-BUTYLPHENOL
Synonyms:
4-BROMO-2-TERT-BUTYLPHENOL;2-tert-Butyl-4-bromophenol;NSC 98326;Phenol,4-broMo-2-(1,1-diMethylethyl)-;4-Bromo-2-tert-butylphenol
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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4-BROMO-2-TERT-BUTYLPHENOL Basic Attributes

Molecular Weight：

229.11362

Exact Mass：

228.01500

NSC Number：

98326

DSSTox ID：

DTXSID60145704

HScode：

2908199090

Characteristics

PSA：

20.2

XLogP3：

3.9

Density：

1.341±0.06 g/cm3 (20 ºC 760 Torr)

Boiling Point：

128-130℃ (6 Torr)

Flash Point：

105.9±21.8℃

Refractive Index：

1.5590 to 1.5630

Vapor Pressure：

0.0129mmHg at 25°C

Safety Information

Precautionary statement(s)：

P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P501

Hazard Statements：

H302+H312+H332

GHS Classification：

|Warning|H302+H312+H332 (50%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:229.11
XLogP3:3.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:228.01498
Monoisotopic Mass:228.01498
Topological Polar Surface Area:20.2
Heavy Atom Count:12
Complexity:150
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-BROMO-2-TERT-BUTYLPHENOL

Basic Attributes
Characteristics
Safety Information
Computed Properties
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