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Basic information
- CAS
690634-06-1- Standard SMILES
C=CCNC(=S)n1nnc2ccccc21- InChIKey
NEHKVFMFTNUABB-UHFFFAOYSA-N- Molecular formula
- C10H10N4S
- Average molar mass
- 218.285 g/mol
- Monoisotopic mass
- 218.06261732
Names & identifiers
- Preferred name
- N-(Prop-2-en-1-yl)-1H-benzotriazole-1-carbothioamide
- IUPAC
- N-(Prop-2-en-1-yl)-1H-benzotriazole-1-carbothioamide
- English name
- N-(2-Propenyl)-1H-benzotriazole-1-carbo&
- Molecular formula
- C10H10N4S
- Molecular weight
- 218.28
Names & synonyms
benzotriazole-1-carbothioic acid allylamideN-prop-2-enylbenzotriazole-1-carbothioamiden-(2-propenyl)-1h-benzotriazole-1-carbothioamideN-Allyl-1H-benzo[d][1,2,3]triazole-1-carbothioamide1H-Benzotriazole-1-carbothioamide, N-2-propen-1-yl-N-(2-Propenyl)-1H-benzotriazole-1-carbothioamide 96%N-(2-Propenyl)-1H-benzotriazole-1-carbothioamide
Database identifiers
- CAS
690634-06-1- PubChem CID
- 3359614
- DTXSID
DTXSID70391775- Nikkaji
- J2.049.861G
Properties
Physicochemical properties
- Melting point
- 56 · 56-60 °C
- Boiling point
- 354.4 · 354.4±35.0 °C(Predicted)
- Density
- 1.28 · 1.28±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 10.12 · 10.12±0.70(Predicted)
- form
- solid
- InChI
- 1S/C10H10N4S/c1-2-7-11-10(15)14-9-6-4-3-5-8(9)12-13-14/h2-6H,1,7H2,(H,11,15)
- InChIKey
- NEHKVFMFTNUABB-UHFFFAOYSA-N
- SMILES
- C=CCNC(=S)n1nnc2ccccc12
- UNSPSC Code
- 12352005 · 12352005
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 5 · GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 302 · H302-H315-H318-H335
- Precautionary statements
- 261 · P261-P280-P305+P351+P338
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22-37/38-41
- Safety Statements
- 26 · 26-39
- WGK Germany
- 3 · 3
- HS Code
- 2933998090 · 2933998090
- Storage Class
- 13 · 13 - Non Combustible Solids
- Hazard Classifications
- 4 OralEye · Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- hs_code
- 2933998090
- risk_code
- 22-37/38-41
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- hazard_code
- Xn
- safety_code
- 26-39
- Storage Class
- 13 - Non Combustible Solids
- Hazard statements
- H302-H315-H318-H335
- Hazard Classifications
- Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P280-P305+P351+P338
Chemistry & industry
Applications
UsesReactant for preparation of:Substituted thiosemicarbazides and N-hydroxythioureas by substitution reactions with hydrazines or hydroxylaminesUsed as:Thioacylating agent in the preparation of thioureas
Upstream & downstream products
Downstream products
Suppliers4 total
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
宝鸡缔都医药化工有限公司029-029-81148929 17792602132 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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