CAS 58236-91-2 3-Chloro-4-(prop-2-en-1-yloxy)benzaldehyde (HCID 4770036)

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Basic information

CAS: 58236-91-2
Standard SMILES: C=CCOc1ccc(C=O)cc1Cl
InChIKey: KMFXGBKTGDWRTF-UHFFFAOYSA-N
Molecular formula: C10H9ClO2
Average molar mass: 196.63 g/mol
Monoisotopic mass: 196.02910721

Names & identifiers

Preferred name: 3-Chloro-4-(prop-2-en-1-yloxy)benzaldehyde
IUPAC: 3-chloro-4-prop-2-enoxybenzaldehyde
English name: CHEMBRDG-BB 4015102
Molecular formula: C10H9ClO2
Molecular weight: 196.63

Names & synonyms

3-chloro-4-(prop-2-en-1-yloxy)benzaldehydeRefChem:499922873-021-358236-91-24-(Allyloxy)-3-chlorobenzaldehyde4-Allyloxy-3-chlorobenzaldehyde4-Allyloxy-3-chloro-benzaldehyde3-chloro-4-prop-2-enoxybenzaldehydeMFCD07432493SCHEMBL944430DTXSID30406379KMFXGBKTGDWRTF-UHFFFAOYSA-N

Show more names

CHEMBRDG-BB 4015102Benzaldehyde, 3-chloro-4-(2-propen-1-yloxy)-4-(allyloxy)-3-chlorobenzaldehyde(SALTDATA: FREE)

ICA23691BBL030807STL375713AKOS000295148SB85415VS-10054DB-340017CS-0116742

Database identifiers

CAS: 58236-91-2
PubChem CID: 4770036
DTXSID: DTXSID30406379
EC Number: 873-021-3

Properties

Computed structural properties

XLogP: 2.7
Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 4
Heavy atoms: 13
Formal charge: 0
Complexity: 182

Physicochemical properties

Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 319 · H319-H335-H302-H315
Precautionary statements: 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H319-H335-H302-H315
Precautionary statements: P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501