9-chloro-3,4-dihydro-2H-1,5-benzodioxepine-7-carbaldehyde

HCID 4962246CAS 852851-89-9
Substructure searchFind similar structures

Basic information

Standard SMILES
O=Cc1cc(Cl)c2c(c1)OCCCO2
InChIKey
PFMDPBFEHLDZOY-UHFFFAOYSA-N
Molecular formula
C10H9ClO3
Average molar mass
212.63 g/mol
Monoisotopic mass
212.0240218

Names & identifiers

Preferred name
9-chloro-3,4-dihydro-2H-1,5-benzodioxepine-7-carbaldehyde
IUPAC
6-chloro-3,4-dihydro-2H-1,5-benzodioxepine-8-carbaldehyde
English name
9-CHLORO-3,4-DIHYDRO-2H-1,5-BENZODIOXEPINE-7-CARBALDEHYDE
Molecular formula
C10H9ClO3
Molecular weight
212.63

Names & synonyms

852851-89-99-chloro-3,4-dihydro-2H-1,5-benzodioxepine-7-carbaldehyde9-Chloro-3,4-dihydro-2H-benzo[b][1,4]dioxepine-7-carbaldehyde6-chloro-3,4-dihydro-2H-1,5-benzodioxepine-8-carbaldehydeMFCD066556759-Chloro-3,4-dihydro-2H-1,5-benzodioxepin-7-carboxaldehydeSCHEMBL565128PFMDPBFEHLDZOY-UHFFFAOYSA-NSBB085352AKOS000302171SY147854CS-0456250
Show more names
9-Chloro-3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-carbaldehyde2H-1,5-Benzodioxepin-7-carboxaldehyde, 9-chloro-3,4-dihydro-
EN300-13122G40758AB00733036-01F776373SR-01000068486SR-01000068486-1Z892657989-chloro-2H,3H,4H-benzo[b]1,4-dioxepane-7-carbaldehyde

Database identifiers

CAS
852851-89-9
PubChem CID
4962246
EC Number
885-638-5

Properties

Computed structural properties

XLogP
2.1
Topological polar surface area
35.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
1
Heavy atoms
14

Physicochemical properties

storage temp.
2 · 2-8°C, stored under nitrogen
Appearance
White to off-white Solid
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
302 · H302-H315-H319-H335
Precautionary statements
280 · P280-P305+P351+P338

Safety & regulation

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
hazard_class
IRRITANT
Hazard statements
H302-H315-H319-H335
Precautionary statements
P280-P305+P351+P338

Chemistry & industry

Upstream & downstream products

Suppliers6 total

武汉凯威斯科技有限公司86-027-67849912 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 17714375163 · [email protected]
南京康满林化工实业有限公司025-83697070 13770331960 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
烟台盛凯伦化学科技有限公司开发区第一分公司13356901049 · [email protected]

Related reactions

2 records
New reaction record

Linked notes

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