4-(3-Chloropropoxy)-benzaldehyde

HCID 3551479

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Basic information

CAS: 82625-25-0
Standard SMILES: O=Cc1ccc(OCCCCl)cc1
InChIKey: CKGQJZWAOFNWQT-UHFFFAOYSA-N
Molecular formula: C10H11ClO2
Average molar mass: 198.64 g/mol
Monoisotopic mass: 198.04475727

Names & identifiers

Preferred name: 4-(3-Chloropropoxy)-benzaldehyde
IUPAC: 4-(3-chloropropoxy)benzaldehyde
English name: 4-(3-Chloropropoxy)benzenecarbaldehyde
Molecular formula: C10H11ClO2
Molecular weight: 198.65

Names & synonyms

4-(3-CHLOROPROPOXY)-BENZALDEHYDERefChem:513167653-188-74-(3-chloropropoxy)benzaldehyde82625-25-0Benzaldehyde, 4-(3-chloropropoxy)-MFCD000210774-chloropropoxybenzaldehydeSCHEMBL3577668DTXSID003935654-(3-chloropropoxy) benzaldehydeCKGQJZWAOFNWQT-UHFFFAOYSA-N

Show more names

4-(3-Chloropropoxy)benzenecarbaldehyde

4-(3-Chloro-propoxy)-benzaldehydeHDA62525AKOS000295458DB-379655CS-0237809EN300-1872039X-0956Z1198147735

Database identifiers

CAS: 82625-25-0
PubChem CID: 3551479
DTXSID: DTXSID00393565
EC Number: 653-188-7
Nikkaji: J3.096.107B

Properties

Computed structural properties

XLogP: 2.3
Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 5
Heavy atoms: 13
Formal charge: 0
Complexity: 142

Physicochemical properties

Melting point: 29 °C · 29 °C(Solv: heptane (142-82-5))
Boiling point: 110 · 110-115 °C(Press: 1 Torr)
Density: 1.171 · 1.171±0.06 g/cm3(Predicted)
Symbol(GHS): 7 · GHS07,GHS05
Signal word: Danger
Hazard statements: 335 · H335-H315-H318-H302-H317
Precautionary statements: 280 · P280-P305+P351+P338-P310-P264-P270-P301+P312-P330-P501-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P264-P280-P302+P352-P321-P332+P313-P362
HS Code: 2914500090 · 2914500090

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

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

P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P333+P317, P362+P364, P403+P233, P405, and P501 (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. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

hs_code: 2914500090
Signal word: Danger
Symbol(GHS): GHS07,GHS05
Hazard statements: H335-H315-H318-H302-H317
Precautionary statements: P280-P305+P351+P338-P310-P264-P270-P301+P312-P330-P501-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P264-P280-P302+P352-P321-P332+P313-P362