(4-Bromo-2-nitrophenyl)methanol

HCID 15906236

Notes Reactions

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Basic information

CAS: 22996-19-6
Standard SMILES: O=[N+]([O-])c1cc(Br)ccc1CO
InChIKey: VEVBVFGGMFKIBA-UHFFFAOYSA-N
Molecular formula: C7H6BrNO3
Average molar mass: 232.03 g/mol
Monoisotopic mass: 230.95310515

Names & identifiers

Preferred name: (4-Bromo-2-nitrophenyl)methanol
IUPAC: (4-bromo-2-nitrophenyl)methanol
English name: 4-Bromo-2-nitrobenzyl alcohol
Molecular formula: C7H6BrNO3
Molecular weight: 232.03

Names & synonyms

22996-19-6(4-bromo-2-nitrophenyl)methanolDTXSID00579286RefChem:208603DTXCID20530051963-919-44-Bromo-2-nitrobenzyl alcohol4-Bromo-2-nitrobenzylalcoholMFCD07779493Benzenemethanol,4-bromo-2-nitro-SCHEMBL7522934-bromo-2-nitrobenzenemethanol

Show more names

4-Bromo-2-nitrobenzy AlcoholBenzenemethanol, 4-bromo-2-nitro-REF DUPL: 4-Bromo-2-nitrobenzyl alcohol4-Bromo-2-nitrobenzyl alcohol ISO 9001：2015 REACH

VEVBVFGGMFKIB4-Bromo-2-nitrobenzyl methanolVEVBVFGGMFKIBA-UHFFFAOYSA-N(4-bromo-2-nitro-phenyl)methanol(4-bromo-2-nitro-phenyl)-methanolCL8721XH0827AKOS005257290

Database identifiers

CAS: 22996-19-6
PubChem CID: 15906236
DTXSID: DTXSID00579286
EC Number: 963-919-4
Nikkaji: J1.389.965G

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

Boiling point: 338.5 · 338.5±27.0 °C(Predicted)
Density: 1.767 · 1.767±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
pka: 13.57 · 13.57±0.10(Predicted)
Appearance: Light yellow to light brown Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302
Precautionary statements: 280 · P280-P305+P351+P338
HS Code: 2909498090 · 2909498090

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

GHS classification

GHS Classification · 4 items

Warning

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

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 (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%)

Safety data

hs_code: 2909498090
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302
Precautionary statements: P280-P305+P351+P338

Chemistry & industry

Applications

Uses4-Bromo-2-nitrobenzyl alcohol is an alcoholic organic compound that can be used as an intermediate in organic synthesis.

Upstream & downstream products

Upstream raw materials

Downstream products

2-AMINO-4-BROMOBENZYL ALCOHOL 4-BROMO-2-NITROBENZYL BROMIDE 2-AMINO-4-BROMOBENZALDEHYDE

Suppliers97 total

湖北永阔科技有限公司027-59223108 15972152991 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

湖北万得化工有限公司15377098680 15377098680 · [email protected]

Changzhou Anxuan Chemical Co., Ltd+86-0519-89882563 +86-18961279162 · [email protected]

温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]

Related reactions

12 records

New reaction record

HRID 315811As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 641337As productuspto-grants-2010_04

HRID 641338As reactantuspto-grants-2010_04

HRID 663699As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 1139211As productTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

HRID 1360306As productuspto-grants-2011_02

HRID 1360307As reactantuspto-grants-2011_02

HRID 1660855As productuspto-grants-2011_10

Compound notes

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