CAS 164033-11-8 (R)-(+)-1-Phenylpropyl isocyanate (HCID 7018288)

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Basic information

CAS: 164033-11-8
Standard SMILES: CC[C@@H](N=C=O)c1ccccc1
InChIKey: XGPXXSJFZSZULR-SNVBAGLBSA-N
Molecular formula: C10H11NO
Average molar mass: 161.2 g/mol

Names & identifiers

Preferred name: (R)-(+)-1-Phenylpropyl isocyanate
IUPAC: [(1R)-1-isocyanatopropyl]benzene
English name: (R)-1-Phenylpropyl isocyanate
Molecular formula: C10H11NO
Molecular weight: 161.2

Names & synonyms

[(1R)-1-isocyanatopropyl]benzene164033-11-8(R)-(+)-1-Phenylpropyl isocyanateBenzene, [(1R)-1-isocyanatopropyl]-MFCD05664135(R)-1-PHENYLPROPYL ISOCYANATE1(R)-phenylpropyl isocyanate(1R)-1-phenylpropanisocyanateSCHEMBL6970517XGPXXSJFZSZULR-SNVBAGLBSA-NAKOS025294661DB-235441

Show more names

ST50408516EN300-260373G52226

Database identifiers

CAS: 164033-11-8
PubChem CID: 7018288
EC Number: 677-373-7

Properties

Computed structural properties

XLogP: 3.6
Topological polar surface area: 29.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 12
Formal charge: 0
Complexity: 167

Physicochemical properties

Boiling point: 195 · 195-197°C 7mm
Density: 0.97 · 0.97±0.1 g/cm3(Predicted)
Flash point: 195 · 195-197°C/7mm
Sensitive: Moisture Sensitive
Symbol(GHS): 7 · GHS07,GHS08
Signal word: Danger
Hazard statements: 302 · H302-H312-H319-H332-H334
Precautionary statements: 261 · P261-P280-P305+P351+P338-P342+P311
Hazard Codes: Xn
Risk Statements: 20 · 20/22-36/37/38-52-22
Safety Statements: 23 · 23-26-36/37/39
RIDADR: 2206 · 2206
HazardClass: 6.1 · 6.1
PackingGroup: III

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

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

P233, P260, P261, P264, P264+P265, P270, P271, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.