4-Bromo-2-tert-butylphenol - CAS 10323-39-4

Name: 4-Bromo-2-tert-butylphenol
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB044613
Product Name:	4-Bromo-2-tert-butylphenol
CAS:	10323-39-4
Synonyms:	2-tert-butyl-4-bromophenol; Phenol, 4-bromo-2-(1,1-dimethylethyl)-; 4-Bromo-2-t-butylphenol; Phenol, 4-bromo-2-tert-butyl-; NSC98326; 4-Bromo-2-(1,1-dimethylethyl)phenol; 2-t-butyl-4-bromophenol

Technical Data

IUPAC Name:	4-bromo-2-tert-butylphenol
Description:	4-Bromo-2-tert-butylphenol (CAS# 10323-39-4 ) is a useful research chemical.
Molecular Weight:	229.11
Molecular Formula:	C10H13BrO
Canonical SMILES:	CC(C)(C)C1=C(C=CC(=C1)Br)O
InChI:	InChI=1S/C10H13BrO/c1-10(2,3)8-6-7(11)4-5-9(8)12/h4-6,12H,1-3H3
InChI Key:	IKMJSWBFODAWTC-UHFFFAOYSA-N
Boiling Point:	251.4±20.0 °C at 760 mmHg
Purity:	≥ 95 %
Density:	1.341±0.06 g/cm³ at 20 °C, 760 Torr
Appearance:	Liquid

GHS Hazard Statement:	H302+H312+H332 (50%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]; H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]; H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, 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
Signal Word:	Warning

Complexity:	150
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	228.01498
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	228.01498
Rotatable Bond Count:	1
Topological Polar Surface Area:	20.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.9