2-Chloro-4-methylpyrimidine
Basic information
- CAS
13036-57-2- 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
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
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
Related reactions
143 records
Compound notes
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