2-Isocyanato-4-methylthiophene

HCID 7127801

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Basic information

CAS: 850375-10-9
Standard SMILES: Cc1csc(N=C=O)c1
InChIKey: HFCFFLWPIFNGCX-UHFFFAOYSA-N
Molecular formula: C6H5NOS
Average molar mass: 139.18 g/mol
Monoisotopic mass: 139.00918478

Names & identifiers

Preferred name: 2-Isocyanato-4-methylthiophene
IUPAC: 2-isocyanato-4-methylthiophene
English name: 4-METHYL 2-THIENYL ISOCYANATE
Molecular formula: C6H5NOS
Molecular weight: 139.18

Names & synonyms

2-isocyanato-4-methylthiophene850375-10-9DTXSID90427803RefChem:262300DTXCID203786372-isocyanato-4-methyl-thiopheneMFCD067974704-methyl 2-thienyl isocyanateThiophene,2-isocyanato-4-methyl-4-METHYL-2-THIENYL ISOCYANATE4-methylthiophen-2-isocyanate4-methyl thiophenyl isocyanate

Show more names

4-Methylthien-2-yl isocyanateThiophene, 2-isocyanato-4-methyl-4-Methylthien-2-yl isocyanate 97%

SCHEMBL1023821HFCFFLWPIFNGCX-UHFFFAOYSA-NSBB086098AKOS006223175DB-056842EN300-272520G36451

Database identifiers

CAS: 850375-10-9
PubChem CID: 7127801
DTXSID: DTXSID90427803
EC Number: 883-676-7

Properties

Computed structural properties

XLogP: 3.1
Topological polar surface area: 57.7 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 9
Formal charge: 0
Complexity: 142

Physicochemical properties

Boiling point: 54 · 54-56/3mm
Density: 1.19 · 1.19±0.1 g/cm3(Predicted)
Sensitive: Moisture Sensitive/Lachrymatory
Hazard Codes: C,Xn
Risk Statements: 22 · 22
Hazard Note: Harmful/Corrosive/Lachrymatory/Moisture Sensitive
HS Code: 2929100090 · 2929100090

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H227 (100%): Combustible liquid [Warning Flammable liquids]

P210, P233, P260, P261, P264, P264+P265, P270, P271, P272, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P342+P316, P362+P364, P370+P378, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.