Basic information
- CAS
928-57-4- Standard SMILES
N#CSCCCl- InChIKey
DYLSBDPBASJBDZ-UHFFFAOYSA-N- Molecular formula
- C3H4ClNS
- Average molar mass
- 121.59 g/mol
- Monoisotopic mass
- 120.975298
Names & identifiers
- Preferred name
- 2-Chloroethyl thiocyanate
- IUPAC
- 2-chloroethyl thiocyanate
- English name
- 2-CHLOROETHYL THIOCYANATE
- Molecular formula
- C3H4ClNS
- Molecular weight
- 121.59
Names & synonyms
2-Chloroethyl thiocyanateThiocyanic acid, 2-chloroethyl esterTL 335EINECS 213-177-6NSC 196140BRN 1741709DTXSID902391454-03-00-00328 (Beilstein Handbook Reference)RefChem:86493DTXCID10161636213-177-6DYLSBDPBASJBDZ-UHFFFAOYSA-N
Show more names
thiocyanicacid,2-chloroethylester
928-57-4[(2-chloroethyl)sulfanyl]carbonitrileNSC-196140ss-ChlorathylrhodanidWLN: NCS2GT2X64P2YJASCHEMBL4781549NSC196140
Database identifiers
- CAS
928-57-4- PubChem CID
- 70231
- DTXSID
DTXSID90239145- UNII
- T2X64P2YJA
- EC Number
- 213-177-6
- Nikkaji
- J48.836D
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 49.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 64.4
Physicochemical properties
- Boiling point
- 198 · 198-203°C
- Density
- 1 · 1,284 g/cm3
- RTECS
- 8750000 · XK8750000
- refractive index
- 1.514 · 1.5140
- FDA UNII
- 2 X64P2YJA · T2X64P2YJA
- Symbol(GHS)
- 6 · GHS06
- Hazard statements
- 301 · H301-H311-H315-H319-H331
- Precautionary statements
- 261 · P261-P280-P301+P310a-P305+P351+P338-P405-P501a
- Risk Statements
- 23 · 23/24/25-32-36/38
- Safety Statements
- 26 · 26-36/37/39-45
- RIDADR
- 2810 · 2810
- HazardClass
- 6.1 · 6.1
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
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Safety data
- ridadr
- 2810
- risk_code
- 23/24/25-32-36/38
- Symbol(GHS)
- GHS06
- safety_code
- 26-36/37/39-45
- hazard_class
- 6.1
- Hazard statements
- H301-H311-H315-H319-H331
- Precautionary statements
- P261-P280-P301+P310a-P305+P351+P338-P405-P501a
Chemistry & industry
Suppliers6 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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