5-Chloro-1,3-benzodioxol-4-amine

HCID 11367253
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Basic information

CAS
379228-45-2
Standard SMILES
Nc1c(Cl)ccc2c1OCO2
InChIKey
YUTNKFUXNHFBGS-UHFFFAOYSA-N
Molecular formula
C7H6ClNO2
Average molar mass
171.58 g/mol
Monoisotopic mass
171.00870611

Overview

structure in first source

Names & identifiers

Preferred name
5-Chloro-1,3-benzodioxol-4-amine
IUPAC
5-chloro-1,3-benzodioxol-4-amine
English name
5-CHLORO-1,3-BENZODIOXOL-4-AMINE
Molecular formula
C7H6ClNO2
Molecular weight
171.58

Names & synonyms

5-CHLORO-1,3-BENZODIOXOL-4-AMINERefChem:913297379228-45-25-Chlorobenzo[d][1,3]dioxol-4-amine5-chloro-2H-1,3-benzodioxol-4-amineMFCD082751251,3-Benzodioxol-4-amine, 5-chloro-5-chloro-benzo[1,3]dioxol-4-ylamine(5-chloro-1,3-benzodioxol-4-yl)amine6-chloro-2,3-methylenedioxyaniline4-amino-5-chloro-1,3-benzodioxole5-CHLOROBENZO[1,3]DIOXOL-4-YLAMINE
Show more names
5-chlorobenzo[d][1,3]dioxolcyclopenten-4-amine
5-CHLORO-1,3-BENZODIOXO-4-AMINESCHEMBL174080SCHEMBL405845SCHEMBL30072905DTXSID80463654YUTNKFUXNHFBGS-UHFFFAOYSA-N5-chloro-1,3-dioxaindan-4-amineAKOS006287214

Database identifiers

CAS
379228-45-2
PubChem CID
11367253
DTXSID
DTXSID80463654

Properties

Computed structural properties

XLogP
1.7
Topological polar surface area
44.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
0
Heavy atoms
11

Physicochemical properties

Boiling point
275.1 · 275.1±40.0 °C(Predicted)
Density
1.494 · 1.494±0.06 g/cm3(Predicted)
storage temp.
Keep in dark place,Sealed in dry,Room Temperature
pka
2.17 · 2.17±0.20(Predicted)
Appearance
White to off-white Solid
InChI
InChI=1S/C7H6ClNO2/c8-4-1-2-5-7(6(4)9)11-3-10-5/h1-2H,3,9H2

Safety & regulation

Safety data

hs_code
2921490090
Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H335
Precautionary statements
P261-P305+P351+P338

Chemistry & industry

Applications

Uses5-Chloro-1,3-benzodioxol-4-amine was used to prepare chloro(methylthio)thiazolopyridine via substitution reaction.

Suppliers69 total

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
南京林叶化学试剂有限公司13376084917 13376082704 · [email protected]

Related reactions

26 records
New reaction record

Compound notes

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