Basic information
- CAS
629-17-4- Standard SMILES
N#CSCCSC#N- InChIKey
LILPOSVDSDEBCD-UHFFFAOYSA-N- Molecular formula
- C4H4N2S2
- Average molar mass
- 144.2 g/mol
- Monoisotopic mass
- 143.98159048
Names & identifiers
- Preferred name
- Ethylene dithiocyanate
- IUPAC
- 2-thiocyanatoethyl thiocyanate
- English name
- Ethylene 1,2-dithiocyanate
- Molecular formula
- C4H4N2S2
- Molecular weight
- 144.22
Names & synonyms
Ethylene dithiocyanate629-17-4Ethylene thiocyanateEthylenedithiocyanate1,2-Dithiocyanoethane1,2-Dithiocyanatoethane1,2-Bis(thiocyanato)ethaneThiocyanic acid, 1,2-ethanediyl ester1,2-Ethanediyl thiocyanateNSC 1911EINECS 211-078-24C6XX7HND4
Show more names
ethylene rhodanideethylenethiocyanateethylene thiocyanideethylene sulfocyanateEthylenebisthiocyanateEthylene bisthiocyanate1,2-ethanediylthiocyanate
AI3-28247Thiocyanic acid, C,C'-1,2-ethanediyl esterNSC-1911RefChem:596605Thiocyanic acid, ethylene ester (6CI,7CI,8CI)211-078-22-thiocyanatoethyl thiocyanateThiocyanic acid, ethylene ester
Database identifiers
- CAS
629-17-4- PubChem CID
- 69416
- DTXSID
DTXSID30870733- UNII
- 4C6XX7HND4
- EC Number
- 211-078-2
- Nikkaji
- J6.888H
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 98.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 119
Experimental & physicochemical properties
SpringerMaterials PropertiesCrystal structure
Physicochemical properties
- Melting point
- 88 · 88-89°C
- Boiling point
- 314.1 · 314.1±25.0 °C(Predicted)
- Density
- 1.42 · 1.4200
- refractive index
- 1.575 · 1.5750 (estimate)
- RTECS
- 9862500 · XK9862500
- storage temp.
- 2 · 2-8°C, stored under nitrogen
- form
- solid
- Appearance
- Off-white to light yellow Solid
- Sensitive
- Moisture Sensitive
- FDA UNII
- 4 C6XX7HND4 · 4C6XX7HND4
- EPA Substance Registry System
- 1 · Thiocyanic acid, 1,2-ethanediyl ester (629-17-4)
- Symbol(GHS)
- 6 · GHS06
- Hazard statements
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
Warning
H302 (90.7%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 43 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (90.7%)
Safety data
- tsca
- TSCA listed
- ridadr
- UN2811
- Symbol(GHS)
- GHS06
- hazard_class
- 6.1
- packing_group
- II
- Hazard statements
- H300-H315-H319-H335
- Precautionary statements
- P261-P280a-P301+P310a-P305+P351+P338-P405-P501a
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationThiocyanic acid, C,C'-1,2-ethanediyl ester: INACTIVE
Upstream & downstream products
Downstream products
Suppliers12 total
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
南兴化工（江苏）有限公司0512-66387035 18662433356 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
广州市金华大化学试剂有限公司020-84383047 · [email protected]
Shaanxi Didu New Materials Co. Ltd+86-86-17392712779 +86-13289823923 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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