4-Chloro-2-nitrobenzyl alcohol

HCID 89956CAS 22996-18-5
Substructure searchFind similar structures

Basic information

Standard SMILES
O=[N+]([O-])c1cc(Cl)ccc1CO
InChIKey
OAHGNOHGHOTZQU-UHFFFAOYSA-N
Molecular formula
C7H6ClNO3
Average molar mass
187.58 g/mol
Monoisotopic mass
187.00362073

Names & identifiers

Preferred name
4-Chloro-2-nitrobenzyl alcohol
IUPAC
(4-chloro-2-nitrophenyl)methanol
English name
4-Chloro-2-nitrobenzyl alcohol
Molecular formula
C7H6ClNO3
Molecular weight
187.58

Names & synonyms

4-Chloro-2-nitrobenzyl alcohol22996-18-5(4-Chloro-2-nitrophenyl)methanolBenzenemethanol, 4-chloro-2-nitro-EINECS 245-374-8747AE4CWN5DTXSID30177537OAHGNOHGHOTZQU-UHFFFAOYSA-4-CHLORO-2-NITROBENZENEMETHANOLRefChem:98396DTXCID90100028245-374-8
Show more names
2-Nitro-4-Chlorobenzyl Alcohol2-Nitro-4-chlorobenzenemethanol4-Chloro-2-nitrobenzoyl alcohol(4-chloro-2-nitro-phenyl)methanol4-Chloro-2-nitrobenzyl alcohol 98%4-Chloro-2-nitrobenzyl alcohol,98%
InChI=1/C7H6ClNO3/c8-6-2-1-5(4-10)7(3-6)9(11)12/h1-3,10H,4H2OAHGNOHGHOTZQU-UHFFFAOYSA-NMFCD000072174-Chloro-2-nitrobenzylalcoholSCHEMBL67536XAA99618(4-Chloro-2-nitrophenyl)methanol #4-Chloro-2-nitrobenzyl alcohol, 98%

Database identifiers

CAS
22996-18-5
PubChem CID
89956
DTXSID
DTXSID30177537
UNII
747AE4CWN5
Nikkaji
J301H

Properties

Computed structural properties

XLogP
1.8
Topological polar surface area
66.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
1
Heavy atoms
12

Physicochemical properties

Melting point
90 · 90-92 °C (lit.)
Boiling point
306.1 · 306.1±27.0 °C(Predicted)
Density
1.476 · 1.476±0.06 g/cm3(Predicted)
storage temp.
Sealed in dry,Room Temperature
form
solid
pka
13.57 · 13.57±0.10(Predicted)

Safety & regulation

Safety data

wgk
3
hs_code
2906290090
risk_code
36/37/38
Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
Xi

Chemistry & industry

Applications

Uses4-Chloro-2-nitrobenzyl alcohol undergoes oxidation in the presence of pyridinium chlorochromate in dichloromethane to yield 4-chloro-2-nitrobenzaldehyde.

Suppliers50 total

上海康恩博医药科技有限公司17510465506 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海策嵘生物科技有限公司[email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Changzhou Anxuan Chemical Co., Ltd+86-0519-89882563 +86-18961279162 · [email protected]

Related reactions

15 records
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Linked notes

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