Basic information
- CAS
1001500-07-7- Standard SMILES
Cc1nn(C)cc1N=C=S- InChIKey
PJWCLLSJNGWRRB-UHFFFAOYSA-N- Molecular formula
- C6H7N3S
- Average molar mass
- 153.21 g/mol
- Monoisotopic mass
- 153.03606841
Names & identifiers
- Preferred name
- 4-isothiocyanato-1,3-dimethyl-1H-pyrazole
- IUPAC
- 4-isothiocyanato-1,3-dimethylpyrazole
- English name
- 4-ISOTHIOCYANATO-1,3-DIMETHYL-1H-PYRAZOLE
- Molecular formula
- C6H7N3S
- Molecular weight
- 153.2
Names & synonyms
4-isothiocyanato-1,3-dimethyl-1H-pyrazole1001500-07-7C6H7N3SMFCD049691794-isothiocyanato-1,3-dimethylpyrazole1H-pyrazole, 4-isothiocyanato-1,3-dimethyl-7111ACSCHEMBL1785238DTXSID401270361ALBB-013276STK349502AKOS000309376
Show more names
AKOS B018704ART-CHEM-BB B018704
4-isothiocyanato-1,3-dimethyl-pyrazoleLS-04121H30305F025876
Database identifiers
- CAS
1001500-07-7- PubChem CID
- 7017488
- DTXSID
DTXSID401270361- EC Number
- 177-604-7
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 62.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 164
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
- HazardClass
- IRRITANT
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 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P233, P260, P261, P264, P264+P265, P270, P271, P280, P284, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P342+P316, P362+P364, P403, 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. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers2 total
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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