Basic information
- Standard SMILES
Cc1ccnc(Cl)n1- InChIKey
BHAKRVSCGILCEW-UHFFFAOYSA-N- Molecular formula
- C5H5ClN2
- Average molar mass
- 128.56 g/mol
- Monoisotopic mass
- 128.01412584
Names & identifiers
- Preferred name
- 2-Chloro-4-methylpyrimidine
- IUPAC
- 2-chloro-4-methylpyrimidine
- English name
- 2-Chloro-4-methylpyrimidine
- Molecular formula
- C5H5ClN2
- Molecular weight
- 128.56
Names & synonyms
2-Chloro-4-methylpyrimidine13036-57-2DTXSID40469672RefChem:258817DTXCID90420490678-759-8PYRIMIDINE, 2-CHLORO-4-METHYL-2-chloro-4-methyl-pyrimidineMFCD000544342-CHLORO-6-METHYLPYRIMIDINEchloro-6 methylpyrimidine2-chloro-4-methyl pyrimidine
Show more names
chloro-4-MethylpyriMidine2-Chloro-4-methyl-1,3-diazine2-CHLORO-4-METHYLPYRIMIDINE 98%2-Chloro-4-methylpyrimidine >2-Chloro-4-methylpyrimidine ISO 9001：2015 REACHPyrimidine, 2-chloro-4-methyl- (6CI,7CI,8CI,9CI)
4-methyl-2-pyrimidinylchlorideCS-D15132-Chloro-4-methylpyrimidine, 97%PB14106GW 708526X; Dabrafenib related4-methyl-2-chloropyrimidineFT-06003834-methyl-2-chloro-pyrimidine
Database identifiers
- CAS
13036-57-2- PubChem CID
- 11629607
- DTXSID
DTXSID40469672- UNII
- QHS7D74958
- EC Number
- 678-759-8
- Nikkaji
- J270.676H
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 25.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 76.8
Physicochemical properties
- Melting point
- 35 · 35-36°C
- Boiling point
- 94 °C/17mmHg · 94°C/17mmHg(lit.)
- Density
- 1.234 · 1.234±0.06 g/cm3(Predicted)
- Flash point
- 98 ℃ · 98℃
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- solubility
- Chloroform
- form
- Solid
- pka
- -0.93 · -0.93±0.20(Predicted)
- color
- Pale Yellow to Beige
- Sensitive
- Moisture Sensitive
- Stability
- Toxic
- InChI
- InChI=1S/C5H5ClN2/c1-4-2-3-7-5(6)8-4/h2-3H,1H3
- InChIKey
- BHAKRVSCGILCEW-UHFFFAOYSA-N
- SMILES
- C1(Cl)=NC=CC(C)=N1
- CAS DataBase Reference
- 13036 · 13036-57-2(CAS DataBase Reference)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 5 · GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 302 · H302-H315-H318-H335
- Precautionary statements
- 280 · P280-P301+P312+P330-P302+P352-P305+P351+P338+P310
- target organs
- Respiratory system
- Hazard Codes
- Xi,Xn
- Risk Statements
- 22 · 22-41-37/38
- Safety Statements
- 26 · 26-39
- WGK Germany
- 3 · 3
- TSCA
- N
- HazardClass
- IRRITANT
- HS Code
- 29335990 · 29335990
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 4 OralEye · Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3
- REACH Registrations
- Active
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 1.9% (1 of 52) of reports.
Danger
H302 (96.2%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 52 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (96.2%)
Safety data
- wgk
- 3
- tsca
- N
- hs_code
- 29335990
- risk_code
- 22-41-37/38
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- hazard_code
- Xi,Xn
- safety_code
- 26-39
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H302-H315-H318-H335
- REACH Registrations
- Active
- Hazard Classifications
- Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3
- Precautionary statements
- P280-P301+P312+P330-P302+P352-P305+P351+P338+P310
Chemistry & industry
Applications
Uses2-Chloro-4-methylpyrimidine (cas# 13036-57-2) is a compound useful in organic synthesis.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers50 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
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Related reactions
143 records
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