Basic information
- Standard SMILES
O=[N+]([O-])c1cnc(Cl)nc1- InChIKey
OFCBNMYNAHUDGE-UHFFFAOYSA-N- Molecular formula
- C4H2ClN3O2
- Average molar mass
- 159.53 g/mol
- Monoisotopic mass
- 158.98355398
Names & identifiers
- Preferred name
- 2-Chloro-5-nitropyrimidine
- IUPAC
- 2-chloro-5-nitropyrimidine
- English name
- 2-Chloro-5-nitropyrimidine
- Molecular formula
- C4H2ClN3O2
- Molecular weight
- 159.53
Names & synonyms
2-Chloro-5-nitropyrimidine10320-42-0Pyrimidine, 2-chloro-5-nitro-EINECS 233-703-8DTXSID30145695NSC 528724RefChem:86314DTXCID7068186233-703-8OFCBNMYNAHUDGE-UHFFFAOYSA-N2-Chloro-5-nitro-pyrimidineMFCD04117995
Show more names
2-CHLORO-5-NITRO-CHLORO(2-)-5-NITROPYRIDINEPYRIDINE, 2-CHLORO-5-NITRO-2-Chloro-5-nitro-1,3-diazine2-Chloro-5-nitropyrimidine 98%2-Chloro-5-nitropyrimidine >2-Chloro-5-nitropyrimidine ,98%2-Chloro-5-nitropyrimidine ISO 9001：2015 REACH
UNII-PN2GZ55G8RPN2GZ55G8RSCHEMBL61992NSC-528724PB15791PS-4725AC-24740SY007609
Database identifiers
- CAS
10320-42-0- PubChem CID
- 82544
- DTXSID
DTXSID30145695- UNII
- PN2GZ55G8R
- EC Number
- 233-703-8
- Nikkaji
- J236.765C
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 71.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 129
Experimental & physicochemical properties
SpringerMaterials Properties15N nuclear magnetic resonance spectrum
Physicochemical properties
- Melting point
- 105 · 105-110 °C
- Boiling point
- 345.4 · 345.4±15.0 °C(Predicted)
- Density
- 1.6 · 1.600±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C
- pka
- -4.6 · -4.60±0.22(Predicted)
- form
- powder to crystal
- color
- Light orange to Yellow to Green
- InChI
- InChI=1S/C4H2ClN3O2/c5-4-6-1-3(2-7-4)8(9)10/h1-2H
- InChIKey
- OFCBNMYNAHUDGE-UHFFFAOYSA-N
- SMILES
- C1(Cl)=NC=C([N+]([O-])=O)C=N1
- CAS DataBase Reference
- 10320 · 10320-42-0(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 2 GZ55G8R · PN2GZ55G8R
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 5 · GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 302 · H302-H315-H317-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
- 36 · 36/37/38-43-41-37/38-22-20/21/22
- Safety Statements
- 26 · 26-36-37/39-36/37/39-36/37-24/25
- RIDADR
- 3335 · UN 3335
- WGK Germany
- 3 · 3
- RTECS
- 7175000 · US7175000
- HazardClass
- IRRITANT
- HS Code
- 29335990 · 29335990
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 4 OralEye · Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2Skin Sens. 1STOT SE 3
Safety & regulation
GHS classification
GHS Classification
Danger
H302 (97.6%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P333+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (97.6%)
Safety data
- wgk
- 3
- rtecs
- US7175000
- ridadr
- UN 3335
- hs_code
- 29335990
- risk_code
- 36/37/38-43-41-37/38-22-20/21/22
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- hazard_code
- Xi,Xn
- safety_code
- 26-36-37/39-36/37/39-36/37-24/25
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H302-H315-H317-H318-H335
- Hazard Classifications
- Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2Skin Sens. 1STOT SE 3
- Precautionary statements
- P280-P301+P312+P330-P302+P352-P305+P351+P338+P310
Chemistry & industry
Applications
Uses2-Chloro-5-nitropyrimidine is an advanced intermediate for kinase/PRMT1 inhibitors, antiviral drugs, and other purine drugs. It can also be converted into herbicides, fungicides, and insecticides, providing targeted crop protection while maintaining good environmental friendliness.
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]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
咸宁深蓝生物医药研发有限公司18171815831 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
Ark Pharm, Inc.847-367-3680 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
宁波亿诺化学品有限公司86-574-27787657 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
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上海将来实业股份有限公司400-0066400 13621662912 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
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成都零六生物科技有限公司400-1166-196 13458535857 · [email protected]
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常州天瑞医药科技有限公司0519-85386832 13382812559 · [email protected]
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
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Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
山东中瀚医药科技有限公司15315818580 18562151612
江苏倍达医药科技有限公司0512-63009836 18994340901 · [email protected]
苏州新凯生物医药技术有限公司0512-67213637 13952409868 · [email protected]
Related reactions
62 records
Linked notes
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