Basic information
- CAS
35675-46-8- Standard SMILES
Cc1cc(C(=O)Cl)ccc1[N+](=O)[O-]- InChIKey
DUEGOHNPUBPUIV-UHFFFAOYSA-N- Molecular formula
- C8H6ClNO3
- Average molar mass
- 199.59 g/mol
- Monoisotopic mass
- 199.00362073
Names & identifiers
- Preferred name
- 3-Methyl-4-nitrobenzoyl chloride
- IUPAC
- 3-methyl-4-nitrobenzoyl chloride
- English name
- 3-methyl-4-nitrobenzoyl chloride
- Molecular formula
- C8H6ClNO3
- Molecular weight
- 199.59
Names & synonyms
3-Methyl-4-nitrobenzoyl chloride35675-46-8EINECS 252-670-0DTXSID40189181RefChem:94772DTXCID70111672252-670-0MFCD000358833-methyl-4-nitro-benzoyl chlorideBenzoyl chloride,3-methyl-4-nitro-3-methyl-4-nitrobenzoylchloride3-methyl-4-nitro Benzoyl chloride
Show more names
3-Methyl-4-nitrobenzoic acid chloride
Benzoyl chloride, 3-methyl-4-nitro-MQH46LEX98SCHEMBL8447013-Methyl-p-nitrobenzoyl chlorideAKOS009216921DB-357176NS00029896
Database identifiers
- CAS
35675-46-8- PubChem CID
- 3015795
- DTXSID
DTXSID40189181- UNII
- MQH46LEX98
- EC Number
- 252-670-0
- Nikkaji
- J260.667D
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 62.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 226
Physicochemical properties
- Melting point
- 28 °C · 28 °C
- Boiling point
- 153 · 153-157 °C(Press: 14 Torr)
- Density
- 1.386 · 1.386±0.06 g/cm3(Predicted)
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers16 total
宁波振岳医药科技有限公司19817745290 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
山东利腾生物科技有限公司+86-18663721413 +86-15552573001 · [email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
江苏艾康生物医药研发有限公司025-5885952 15955137747 · [email protected]
吉林中科研伸科技有限公司18143011203 · [email protected]
湖北成海化工有限公司027-59220433 18327245847 · [email protected]
吉林中科研伸科技有限公司0431-80514535 19917294565 · [email protected]
成都瑞欧克科技有限公司028-64353063 · [email protected]
上海德轩医药科技有限公司[email protected] · [email protected]
湖北齐飞医药化工有限公司027-59322506 18071128681 · [email protected]
Related reactions
18 records
Compound notes
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