591378

2-(4-Chlorophenethyl)isothiocyanate

97%

• Synonym(s): 2-(4-Chlorophenyl)ethyl isothiocyanate
• Empirical Formula (Hill Notation): C₉H₈ClNS
• CAS Number: 17608-10-5
• Molecular Weight: 197.68
• MDL number: MFCD00041127
• UNSPSC Code: 12352100
• PubChem Substance ID: 24881322
• NACRES: NA.22

Properties

• Assay: 97%
• refractive index: n20/D 1.6000 (lit.)
• density: 1.215 g/mL at 25 °C (lit.)
• functional group: amine; chloro; isothiocyanate
• storage temp.: 2-8°C
• SMILES string: Clc1ccc(CCN=C=S)cc1
• InChI: 1S/C9H8ClNS/c10-9-3-1-8(2-4-9)5-6-11-7-12/h1-4H,5-6H2
• InChI key: MRJJYUJULSZFDV-UHFFFAOYSA-N

Safety Information

• Pictograms: GHS08,GHS07
• Signal Word: Danger
• Hazard Statements: H302 + H312 + H332,H315,H319,H334,H335
• Precautionary Statements: P261 - P264 - P280 - P301 + P312 - P302 + P352 + P312 - P305 + P351 + P338
• Hazard Classifications: Acute Tox. 4 Oral - Eye Irrit. 2 - Resp. Sens. 1 - Skin Irrit. 2 - STOT SE 3
• Target Organs: Respiratory system
• Storage Class Code: 10 - Combustible liquids
• WGK: WGK 3
• Flash Point(F): >230.0 °F - closed cup
• Flash Point(C): > 110 °C - closed cup
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves