CAS 74732-00-6 N-(2-Chloroethyl)-1,8-naphthalimide (HCID 522559)

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Basic information

CAS: 74732-00-6
Standard SMILES: O=C1c2cccc3cccc(c23)C(=O)N1CCCl
InChIKey: AWVXDWQRGJLTBI-UHFFFAOYSA-N
Molecular formula: C14H10ClNO2
Average molar mass: 259.69 g/mol
Monoisotopic mass: 259.04000624

Names & identifiers

Preferred name: N-(2-Chloroethyl)-1,8-naphthalimide
IUPAC: 2-(2-chloroethyl)benzo[de]isoquinoline-1,3-dione
English name: N-(2-Chloroethyl)-1,8-naphthalimide
Molecular formula: C14H10ClNO2
Molecular weight: 259.69

Names & synonyms

N-(2-Chloroethyl)-1,8-naphthalimide74732-00-6DTXSID00334998RefChem:161700DTXCID80286087636-149-9AWVXDWQRGJLTBI-UHFFFAOYSA-N2-(2-Chloroethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione2-(2-chloroethyl)benzo[de]isoquinoline-1,3-dioneMFCD00012444SCHEMBL9034219AKOS BBS-00007398

Show more names

N-(2-chloroethyl)-1,8-naphthalenediformylisoamine

SBB043199AKOS000273646SY473916DB-055903CS-0364390G83725F7550341H-Benz[de]isoquinoline-1,3(2H)-dione, 2-(2-chloroethyl)-

Database identifiers

CAS: 74732-00-6
PubChem CID: 522559
DTXSID: DTXSID00334998
EC Number: 636-149-9

Properties

Computed structural properties

XLogP: 2.7
Topological polar surface area: 37.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 18
Formal charge: 0
Complexity: 341

Physicochemical properties

Melting point: 205 °C · 205 °C (dec.)(lit.)
Boiling point: 433.7 · 433.7±28.0 °C(Predicted)
Density: 1.398 · 1.398±0.06 g/cm3(Predicted)
pka: -2.34 · -2.34±0.20(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 319 · H319-H315-H302-H335
Precautionary statements: 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362
Hazard Codes: Xi
Risk Statements: 22 · 22-36/37/38
Safety Statements: 26 · 26
WGK Germany: 3 · 3

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)

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

wgk: 3
risk_code: 22-36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26
Hazard statements: H319-H315-H302-H335
Precautionary statements: P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362