CAS 139194-79-9 (3-Bromo-5-nitrophenyl)methanol (HCID 14866972)

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Basic information

CAS: 139194-79-9
Standard SMILES: O=[N+]([O-])c1cc(Br)cc(CO)c1
InChIKey: WIXGOPRKQQGTHO-UHFFFAOYSA-N
Molecular formula: C7H6BrNO3
Average molar mass: 232.03 g/mol
Monoisotopic mass: 230.95311

Names & identifiers

Preferred name: (3-Bromo-5-nitrophenyl)methanol
IUPAC: (3-bromo-5-nitrophenyl)methanol
English name: 3-Bromo-5-nitrobenzyl alcohol
Molecular formula: C7H6BrNO3
Molecular weight: 232.03

Names & synonyms

(3-bromo-5-nitrophenyl)methanol139194-79-93-BROMO-5-NITROBENZYL ALCOHOLBenzenemethanol, 3-bromo-5-nitro-MFCD09056873(3-bromo-5-nitro-phenyl)methanolSCHEMBL600500DTXSID30564822(3-bromo-5-nitrophenyl) methanolAMY142903-bromo-5-nitrobenzenemethanolSCHEMBL16956753

Show more names

3-Bromo-5-nitrobenzylalcohol97%3-Bromo-5-nitrobenzyl alcohol 97%(3-Bromo-5-nitrophenyl)methanol, 3-Bromo-5-(hydroxymethyl)nitrobenzene

SCHEMBL31434425PFA19479XH14633-NITRO-5-BROMOBENZYL ALCOHOLAKOS025129210MB07065PS-10572SY232367

Database identifiers

CAS: 139194-79-9
PubChem CID: 14866972
DTXSID: DTXSID30564822
EC Number: 116-616-9

Properties

Computed structural properties

XLogP: 1.6
Topological polar surface area: 66.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 12
Formal charge: 0
Complexity: 171

Physicochemical properties

storage temp.: Sealed in dry,Room Temperature
Appearance: Off-white to light yellow Solid
InChI: InChI=1S/C7H6BrNO3/c8-6-1-5(4-10)2-7(3-6)9(11)12/h1-3,10H,4H2
InChIKey: WIXGOPRKQQGTHO-UHFFFAOYSA-N
SMILES: C1(CO)=CC([N+]([O-])=O)=CC(Br)=C1
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302+H312+H332-H315-H319-H335
Precautionary statements: 261 · P261-P264-P270-P271-P280-P301+P312+P330-P302+P352+P312-P304+P340+P312-P305+P351+P338-P332+P313-P337+P313-P362-P363-P403+P233-P405-P501
HS Code: 2906290090 · 2906290090

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；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]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

Safety data

hs_code: 2906290090
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302+H312+H332-H315-H319-H335
Precautionary statements: P261-P264-P270-P271-P280-P301+P312+P330-P302+P352+P312-P304+P340+P312-P305+P351+P338-P332+P313-P337+P313-P362-P363-P403+P233-P405-P501