Basic information
- CAS
1092682-87-5- Standard SMILES
Cc1[nH]ncc1Cl- InChIKey
LCDKUXJKMAFCTI-UHFFFAOYSA-N- Molecular formula
- C4H5ClN2
- Average molar mass
- 116.55 g/mol
- Monoisotopic mass
- 116.01412584
Names & identifiers
- Preferred name
- 4-chloro-5-methyl-1H-pyrazole
- IUPAC
- 4-chloro-5-methyl-1H-pyrazole
- English name
- 4-Chloro-3-Methyl-1H-pyrazole
- Molecular formula
- C4H5ClN2
- Molecular weight
- 116.55
Names & synonyms
4-chloro-3-methyl-1H-pyrazole4-chloro-5-methyl-1H-pyrazoleRefChem:521483605-163-715878-08-71092682-87-54-Chloro-3-methylpyrazole1H-Pyrazole, 4-chloro-3-methyl-Pyrazole, 4-chloro-3-methyl-3-Methyl-4-chloropyrazoleL-216261H-pyrazole, 4-chloro-5-methyl-
Show more names
MFCD01693485BRN 0001849MFCD00514185SC-326614-chloro-5-methylpyrazole4-23-00-00587 (Beilstein Handbook Reference)SCHEMBL1840844-chlor-3-methyl-1H-pyrazol
Database identifiers
- CAS
1092682-87-5、15878-08-7- PubChem CID
- 204169
- DTXSID
DTXSID50166524- EC Number
- 605-163-7、675-355-3
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 28.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 66.7
Physicochemical properties
- Boiling point
- 218.1 · 218.1±20.0 °C(Predicted)
- Density
- 1.306 · 1.306±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- pka
- 13.27 · 13.27±0.50(Predicted)
- form
- powder
- color
- white
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P305+P351+P338-P304+P340-P405-P501A
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-37-60
- TSCA
- No
- HS Code
- 2933199090 · 2933199090
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, 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.
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Hazard information
Hazard Classes and Categories
Skin Irrit. 2 (100%)
Acute Tox. 4 (100%)
Safety data
- tsca
- No
- hs_code
- 2933199090
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 26-37-60
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280-P305+P351+P338-P304+P340-P405-P501A
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers6 total
宁波振岳医药科技有限公司19817745290 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
武汉英诺川生物科技有限公司18502785028 · [email protected]
上海智乾生物科技有限公司[email protected]
宁波振岳医药科技有限公司0086-19817745290; 19817745290 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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