CAS 88442-63-1 1-(1-Isocyanatoethyl)naphthalene (HCID 602753)

Substructure search Find similar structures

Basic information

CAS: 88442-63-1
Standard SMILES: CC(N=C=O)c1cccc2ccccc12
InChIKey: GONOHGQPZFXJOJ-UHFFFAOYSA-N
Molecular formula: C13H11NO
Average molar mass: 197.23 g/mol

Names & identifiers

Preferred name: 1-(1-Isocyanatoethyl)naphthalene
IUPAC: 1-(1-isocyanatoethyl)naphthalene
English name: 1-(1-Naphthyl)ethyl isocyanate
Molecular formula: C13H11NO
Molecular weight: 197.23

Names & synonyms

88442-63-11-(1-Isocyanatoethyl)naphthaleneRefChem:419758622-276-7(R)-(-)-1-(1-Naphthyl)ethylisocyanate1-(1-Isocyanatoethyl)naphthalene #Naphthalene, 1-(1-isocyanatoethyl)-Isocyanic Acid (R)-(-)-1-(1-Naphthyl)ethyl EsterSCHEMBL7145911-(naphth-1-yl)ethylisocyanateSCHEMBL29648886AKOS015910213

Show more names

1-(1-Naphtyl)ethyl isocyanate1-(1-Naphthyl)ethyl isocyanate

1-(1-Naphthyl)ethyl isocyanate, 95%DB-055792DB-057071DB-070294EN300-316044G29129

Database identifiers

CAS: 88442-63-1
PubChem CID: 602753
EC Number: 622-276-7
Nikkaji: J308.006D

Properties

Computed structural properties

XLogP: 4.5
Topological polar surface area: 29.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 15
Formal charge: 0
Complexity: 257

Physicochemical properties

Boiling point: 333.5 · 333.5±0.0 °C(Predicted)
Density: 1.06 · 1.06±0.1 g/cm3(Predicted)
Flash point: 200 °F · 200 °F
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302+H312+H332-H315-H319-H335
Precautionary statements: 261 · P261-P280-P305+P351+P338
Hazard Codes: Xn
Risk Statements: 20 · 20/21/22-36/37/38
Safety Statements: 23 · 23-26-28-37/39
RIDADR: 2206 · UN 2206 6.1/PG 3
WGK Germany: 3 · 3
HazardClass: 6.1 · 6.1(a)
PackingGroup: II

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, P317, 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 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.