2-Bromo-4-nitrophenol

HCID 22109
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Basic information

CAS
5847-59-6
Standard SMILES
O=[N+]([O-])c1ccc(O)c(Br)c1
InChIKey
DCIPFSYBGTWYCR-UHFFFAOYSA-N
Molecular formula
C6H4BrNO3
Average molar mass
218 g/mol
Monoisotopic mass
216.93746

Names & identifiers

Preferred name
2-Bromo-4-nitrophenol
IUPAC
2-bromo-4-nitrophenol
English name
2-Bromo-4-nitrophenol
Molecular formula
C6H4BrNO3
Molecular weight
218

Names & synonyms

2-BROMO-4-NITROPHENOL5847-59-6Phenol, 2-bromo-4-nitro-NSC-212120WTK249GKL9DTXSID10207164RefChem:1062463DTXCID10129655611-662-0MFCD06656567NSC 2121203-bromo-4-hydroxynitrobenzene
Show more names
2-Bromo-4-nitrophenoPhenol,2-broMo-4-nitro-2-Bromo-4-nitrophenol >3-Bromo-4-hydroxynitrobenzene2-Bromo-4-nitrophenol >=98.0%
4-HYDROXY-3-BROMONITROBENZENENSC2121202-brom-4-nitro-phenolPhenol, 2-bromo-4-nitro- (8CI)(9CI)SCHEMBL144190SCHEMBL4902091DCIPFSYBGTWYCR-UHFFFAOYSA-NCK1185

Database identifiers

CAS
5847-59-6
PubChem CID
22109
DTXSID
DTXSID10207164
UNII
WTK249GKL9
EC Number
611-662-0
Nikkaji
J441.023H

Properties

Computed structural properties

XLogP
2.4
Topological polar surface area
66.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
0
Heavy atoms
11

Physicochemical properties

Melting point
111 · 111-115 °C
Boiling point
298.1 · 298.1±25.0 °C(Predicted)
Density
1.8994 · 1.8994 (rough estimate)
refractive index
1.62 · 1.6200 (estimate)
storage temp.
Inert atmosphere,Room Temperature
solubility
soluble in Methanol

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H400 (95.2%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]

P264, P270, P273, P301+P317, P330, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Aquatic Acute 1 (95.2%)

Safety data

PPE
dust mask type N95 (US), Eyeshields, Gloves
wgk
3
ridadr
UN3077 9/PG 3
hs_code
2922290090
risk_code
22-50
Signal word
Warning

Chemistry & industry

Applications

Uses2-Bromo-4-nitrophenol is used as an important intermediate in the synthesis of some pharmaceuticals and fine chemicals.

Upstream & downstream products

Suppliers100 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
南通润丰石油化工有限公司66017690 19952660367 · [email protected]
上海策嵘生物科技有限公司[email protected]

Related reactions

50 records
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Compound notes

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