1-Chloro-3-isothiocyanato-2-methylbenzene
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Basic information
- CAS
19241-35-1- Standard SMILES
Cc1c(Cl)cccc1N=C=S- InChIKey
ZXEZATIRZLJXFU-UHFFFAOYSA-N- Molecular formula
- C8H6ClNS
- Average molar mass
- 183.66 g/mol
- Monoisotopic mass
- 182.9909481
Names & identifiers
- Preferred name
- 1-Chloro-3-isothiocyanato-2-methylbenzene
- IUPAC
- 1-chloro-3-isothiocyanato-2-methylbenzene
- English name
- 3-CHLORO-2-METHYLPHENYL ISOTHIOCYANATE
- Molecular formula
- C8H6ClNS
- Molecular weight
- 183.66
Names & synonyms
1-chloro-3-isothiocyanato-2-methylbenzeneRefChem:431337671-002-219241-35-13-Chloro-2-Methylphenyl Isothiocyanate3-Chloro-2-methylphenylisothiocyanateMFCD00022056Benzene, 1-chloro-3-isothiocyanato-2-methyl-Isothiocyanic acid, 3-chloro-o-tolyl ester3-Chloro-o-tolyl ester Isothiocyanic acid,3-Chloro-2-methylphenyl isothiocyanate3-chloro-2-methylbenzenisothiocyanateBenzene,1-chloro-3-isothiocyanato-2-methyl-
Show more names
3-Chloro-2-methylphenyl isothiocyate, 98%3-chloride-2-methyl benzene isothiocyanate3-Chloro-2-methylphenyl isothiocyanate ,97%3-Chloro-2-methylphenyl isothiocyanate ,93%3-Chloro-o-tolyl ester Isothiocyanic acid
NSC134676SCHEMBL945215DTXSID40172831ZXEZATIRZLJXFU-UHFFFAOYSA-NAKOS BBS-00000579SBB0384433-chloro-2-methylphenyl-isothiocyanateAKOS000268591
Database identifiers
- CAS
19241-35-1- PubChem CID
- 140504
- DTXSID
DTXSID40172831- EC Number
- 671-002-2
Properties
Computed structural propertiesFilling in
- XLogP
- 4.3
- Topological polar surface area
- 44.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 177
Physicochemical properties
- Boiling point
- 99 °C · 99 °C(Press: 2-3 Torr)
- Density
- 1.18 · 1.18±0.1 g/cm3(Predicted)
- CAS DataBase Reference
- 19241 · 19241-35-1(CAS DataBase Reference)
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314
- Precautionary statements
- 260 · P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501
- Risk Statements
- 20 · 20/21/22-36/37/38
- Safety Statements
- 26 · 26-36/37/39
- RIDADR
- 2810 · 2810
- HS Code
- 29349990 · 29349990
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 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 (50%)
Safety data
- ridadr
- 2810
- hs_code
- 29349990
- risk_code
- 20/21/22-36/37/38
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- safety_code
- 26-36/37/39
- Hazard statements
- H314
- Precautionary statements
- P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
14 records
Compound notes
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