1-(7-Amino-2,3-dihydro-1,4-benzodioxin-6-yl)-2-chloroethan-1-one

HCID 10242855
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Substructure searchFind similar structures

Basic information

CAS
149809-31-4
Standard SMILES
Nc1cc2c(cc1C(=O)CCl)OCCO2
InChIKey
XIVQDDQILMFQIK-UHFFFAOYSA-N
Molecular formula
C10H10ClNO3
Average molar mass
227.64 g/mol
Monoisotopic mass
227.03492086

Names & identifiers

Preferred name
1-(7-Amino-2,3-dihydro-1,4-benzodioxin-6-yl)-2-chloroethan-1-one
IUPAC
1-(6-amino-2,3-dihydro-1,4-benzodioxin-7-yl)-2-chloroethanone
English name
1-(7-Amino-2,3-dihydro-benzo[1,4]dioxin-6-yl)-2-chloro-ethanone
Molecular formula
C10H10ClNO3
Molecular weight
227.64

Names & synonyms

149809-31-41-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)-2-chloroethan-1-oneDTXSID20437218RefChem:225928DTXCID503880421-(7-AMINO-2,3-DIHYDRO-BENZO[1,4]DIOXIN-6-YL)-2-CHLORO-ETHANONE1-(7-Amino-2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-2-chloroethanoneMFCD041144921-(6-amino-2,3-dihydro-1,4-benzodioxin-7-yl)-2-chloroethanone1-(7-amino-2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-2-chloroethan-1-oneXIVQDDQILMFQIK-UHFFFAOYSA-NSCHEMBL6431490
Show more names
2-amino-α-chloro-4,5-ethylenedioxyacetophenoneEthanone, 1-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)-2-chloro-Ethanone, 1-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)-2-chloro- (9CI)
SCHEMBL31692120SB33779CS-03371331-(6-amino-2,3-dihydro-1,4-benzodioxin-7-yl)-2-chloro-ethanone

Database identifiers

CAS
149809-31-4
PubChem CID
10242855
DTXSID
DTXSID20437218
EC Number
809-194-9

Properties

Computed structural properties

XLogP
1.8
Topological polar surface area
61.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
2
Heavy atoms
15

Physicochemical properties

Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
319 · H319
Precautionary statements
264 · P264-P280-P305+P351+P338-P337+P313P

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)

Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesEye Irrit. 2 (100%)

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H319
Precautionary statements
P264-P280-P305+P351+P338-P337+P313P

Chemistry & industry

Suppliers3 total

杰达维（上海）医药科技发展有限公司/J & W PharmLab021-64340559 · [email protected]
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
上海智乾生物科技有限公司[email protected]

Related reactions

22 records
New reaction record

Compound notes

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