CAS 19241-15-7 2,5-Dimethylphenyl isothiocyanate (HCID 140499)

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Basic information

CAS: 19241-15-7
Standard SMILES: Cc1ccc(C)c(N=C=S)c1
InChIKey: RCBXZRJVMSWGAO-UHFFFAOYSA-N
Molecular formula: C9H9NS
Average molar mass: 163.24 g/mol
Monoisotopic mass: 163.04557029

Names & identifiers

Preferred name: 2,5-Dimethylphenyl isothiocyanate
IUPAC: 2-isothiocyanato-1,4-dimethylbenzene
English name: 2,5-Dimethylphenyl isothiocyanate
Molecular formula: C9H9NS
Molecular weight: 163.24

Names & synonyms

2,5-Dimethylphenyl isothiocyanate19241-15-7DTXSID30172825RefChem:82969DTXCID2095316RCBXZRJVMSWGAO-UHFFFAOYSA-N2-Isothiocyanato-1,4-dimethylbenzene2,5-DIMETHYLPHENylisoTHIOCYANATEBenzene, 2-isothiocyanato-1,4-dimethyl-MFCD000467982,5-dimethylbenzenisothiocyanateBenzene,2-isothiocyanato-1,4-dimethyl-

Show more names

2,5-Dimethylphenyl isothiocyate, 99%

2-isothiocyanato-1,4-dimethyl-benzene2,5-xylyl isothiocyanateSCHEMBL191588SCHEMBL307853892,5-Dimethylisothiocyanatobenzene2,5-dimethylphenyl-isothiocyanateAKOS B016335ART-CHEM-BB B016335

Database identifiers

CAS: 19241-15-7
PubChem CID: 140499
DTXSID: DTXSID30172825
EC Number: 670-478-9

Properties

Computed structural properties

XLogP: 4.1
Topological polar surface area: 44.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 11
Formal charge: 0
Complexity: 172

Physicochemical properties

Boiling point: 120 °C · 120 °C
Density: 1.08 · 1.08
CAS DataBase Reference: 19241 · 19241-15-7(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements: 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Hazard Codes: Xi,C
RIDADR: 2922 · UN2922
HazardClass: IRRITANT, CORROSIVE
Limited Quantities: 5 L · 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)

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, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P342+P316, P362+P364, P363, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 2 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

ridadr: UN2922
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi,C
hazard_class: IRRITANT, CORROSIVE
Hazard statements: H315-H319
Limited Quantities: 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Precautionary statements: P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313