5-Bromo-2-fluorobenzyl alcohol - CAS 99725-13-0

Catalog:	BB054622
Product Name:	5-Bromo-2-fluorobenzyl alcohol
CAS:	99725-13-0
Synonyms:	(5-bromo-2-fluorophenyl)methan-1-ol; 2-fluoro-5-bromobenzyl alcohol

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	(5-bromo-2-fluorophenyl)methanol
Molecular Weight:	205.02
Molecular Formula:	C7H6BrFO
Canonical SMILES:	C1=CC(=C(C=C1Br)CO)F
InChI:	InChI=1S/C7H6BrFO/c8-6-1-2-7(9)5(3-6)4-10/h1-3,10H,4H2
InChI Key:	UOSBHJFKMGLWGX-UHFFFAOYSA-N
Boiling Point:	261.6±25.0°C at 760 mmHg
Melting Point:	221-226°C
Purity:	≥95%
Density:	1.7±0.1 g/cm3
Storage:	Store at RT

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Related Functional Groups

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Fluorinated Building Blocks

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Halides

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[2367-82-0]
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[4860-03-1]
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[1431966-58-3]
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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	110
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	203.95861
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	203.95861
Rotatable Bond Count:	1
Topological Polar Surface Area:	20.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.6