1-Chloro-2-methoxy-4-methylbenzene

HCID 99352
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Basic information

CAS
73909-16-7
Standard SMILES
COc1cc(C)ccc1Cl
InChIKey
KBRLTYHUJDMMLI-UHFFFAOYSA-N
Molecular formula
C8H9ClO
Average molar mass
156.61 g/mol
Monoisotopic mass
156.03419259

Names & identifiers

Preferred name
1-Chloro-2-methoxy-4-methylbenzene
IUPAC
1-chloro-2-methoxy-4-methylbenzene
English name
4-chloro-3-methoxytoluene
Molecular formula
C8H9ClO
Molecular weight
156.61

Names & synonyms

1-chloro-2-methoxy-4-methylbenzene73909-16-74-Chloro-3-methoxytolueneBenzene, 1-chloro-2-methoxy-4-methyl-Toluene, 4-chloro-3-methoxy-KR6MZG2XUBNSC-220096DTXSID30224499RefChem:1055227DTXCID801469902-Chloro-5-methylanisole1-chloro-2-methoxy-4-methyl-benzene
Show more names
N-methylcarbamic acid [(E)-(4-chlorophenyl)methylideneamino] ester
MFCD01679710NSC 220096BRN 3237331Benzene, 1-chloro-2-methoxy-4-methyl- (9CI)NSC220096UNII-KR6MZG2XUB3-methoxy-4-chlorotolueneSCHEMBL95915

Database identifiers

CAS
73909-16-7
PubChem CID
99352
DTXSID
DTXSID30224499
UNII
KR6MZG2XUB
Nikkaji
J516.976C

Properties

Computed structural properties

XLogP
3
Topological polar surface area
9.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
1
Heavy atoms
10

Physicochemical properties

Boiling point
75 °C · 75 °C(Press: 0.5 Torr)
Density
1.105 · 1.105±0.06 g/cm3(Predicted)
storage temp.
2 · 2-8°C
EWG's Food Scores
1 · 1
FDA UNII
6 MZG2XUB · KR6MZG2XUB
HS Code
2909309090 · 2909309090

Safety & regulation

Safety data

hs_code
2909309090

Chemistry & industry

Suppliers34 total

上海康恩博医药科技有限公司17510465506 · [email protected]
湖北鑫立恒化工有限公司13164644252
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]

Related reactions

84 records
New reaction record

Compound notes

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