2-Chloro-1-(1,1-dimethylethyl)-4-nitrobenzene

HCID 21097451
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Basic information

CAS
52756-38-4
Standard SMILES
CC(C)(C)c1ccc([N+](=O)[O-])cc1Cl
InChIKey
XNMDZURUVCTLPB-UHFFFAOYSA-N
Molecular formula
C10H12ClNO2
Average molar mass
213.66 g/mol
Monoisotopic mass
213.0556563

Names & identifiers

Preferred name
2-Chloro-1-(1,1-dimethylethyl)-4-nitrobenzene
IUPAC
1-tert-butyl-2-chloro-4-nitrobenzene
English name
1-tert-Butyl-2-chloro-4-nitro-benzene
Molecular formula
C10H12ClNO2
Molecular weight
213.66

Names & synonyms

52756-38-42-Chloro-1-(1,1-dimethylethyl)-4-nitrobenzeneRefChem:2582111-(tert-Butyl)-2-chloro-4-nitrobenzene1-tert-Butyl-2-chloro-4-nitrobenzene1-tert-Butyl-2-chloro-4-nitro-benzeneMFCD27924905SCHEMBL4641866SCHEMBL27775732XNMDZURUVCTLPB-UHFFFAOYSA-NDTXSID9012547282-chloro-4-nitro-1-(tert-butyl)benzene
Show more names
Benzene, 2-chloro-1-(1,1-dimethylethyl)-4-nitro-
DB-089400G10203F569466

Database identifiers

CAS
52756-38-4
PubChem CID
21097451
DTXSID
DTXSID901254728

Properties

Computed structural properties

XLogP
4.1
Topological polar surface area
45.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
1
Heavy atoms
14

Physicochemical properties

Melting point
96 · 96-98 °C
Boiling point
288.6 · 288.6±28.0 °C(Predicted)
Density
1.187 · 1.187±0.06 g/cm3(Predicted)

Chemistry & industry

Suppliers17 total

上海策嵘生物科技有限公司[email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
上海敏寒医药科技有限公司17612188245 · [email protected]
河南东元化工科技有限公司16696119288 · [email protected]
武汉壹加壹生物科技有限公司027-027-16602739303 16602739303 · [email protected]

Related reactions

4 records
New reaction record

Compound notes

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