Basic information
- CAS
23082-45-3- Standard SMILES
O=C(O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-]- InChIKey
LKMJMYZOEGSMDN-UHFFFAOYSA-N- Molecular formula
- C7H3Cl2NO4
- Average molar mass
- 236.01 g/mol
- Monoisotopic mass
- 234.943913
Names & identifiers
- Preferred name
- 3,5-Dichloro-2-nitrobenzoic acid
- IUPAC
- 3,5-dichloro-2-nitrobenzoic acid
- English name
- 3,5-Dichloro-2-nitrobenzoic acid
- Molecular weight
- 0
Names & synonyms
3,5-dichloro-2-nitrobenzoic acid23082-45-3DTXSID30410219Benzoic acid, 3,5-dichloro-2-nitro-RefChem:271651DTXCID90361071LKMJMYZOEGSMDN-UHFFFAOYSA-NMFCD010982053,5-dichloro-2-nitrobenzoicacid2-nitro-3,5-dichlorobenzoic acid3,5-dichloro-2-nitro-benzoic AcidSCHEMBL1952775
Show more names
AKOS024353671AS-78021SY202562DB-105207CS-0513965ST50979865D97552EN300-216746
Database identifiers
- CAS
23082-45-3- PubChem CID
- 5210852
- DTXSID
DTXSID30410219- Nikkaji
- J88.125B
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 83.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 255
Physicochemical properties
- storage temp.
- 2 · Storage temp. 2-8°C
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301-H311-H331
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P302+P352-P304+P340-P310-P330-P361-P403+P233-P405-P501
Safety & regulation
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- Hazard statements
- H301-H311-H331
- Precautionary statements
- P261-P264-P270-P271-P280-P302+P352-P304+P340-P310-P330-P361-P403+P233-P405-P501
Chemistry & industry
Suppliers14 total
ShanghaiFineBiotechCoLtd+8618717800556 18717800556 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
常州市阿尔捷化工商贸有限公司13813686894 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
上海裕兰生物科技有限公司021-57171705 13817537615 · [email protected]
上海瀚思化工有限公司17717618050 · [email protected]
苏州孚伊洛生物科技有限公司0512-87819718 18912655635 · [email protected]
上海康恩博医药科技有限公司17510465506 · [email protected]
上海恬枫生物科技有限公司18717800556 · [email protected]
郑州汇聚化工有限公司037155153829 18003835034 · [email protected]
上海捷世凯生物科技有限公司021-57520305 13795461237 · [email protected]
天津和信德生物科技有限公司15022315965; 18502259037 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Related reactions
7 records
Compound notes
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