Basic information
- CAS
205827-96-9- Standard SMILES
O=C(Nc1cc([N+](=O)[O-])ccc1Cl)c1ccccc1- InChIKey
JJQSSZABUGAGPU-UHFFFAOYSA-N- Molecular formula
- C13H9ClN2O3
- Average molar mass
- 276.67 g/mol
- Monoisotopic mass
- 276.0301698
Names & identifiers
- Preferred name
- N-(2-chloro-5-nitrophenyl)benzamide
- IUPAC
- N-(2-chloro-5-nitrophenyl)benzamide
- English name
- GW9662
- Molecular formula
- C13H9ClN2O3
- Molecular weight
- 276.68
Names & synonyms
N-(2-chloro-5-nitrophenyl)benzamide205827-96-9MFCD01212006Benzamide, N-(2-chloro-5-nitrophenyl)-AR3668Oprea1_108826SCHEMBL402139DTXSID20354693JJQSSZABUGAGPU-UHFFFAOYSA-NSTK038983AKOS003276142N-(2-chloro-5-nitro-phenyl)benzamide
Show more names
GW9662TIMTEC-BB SBB0065232-CHLORO-5-NITROBENZANILIDE2-Chloro-5-nitroanilinebenzamide2-CHLORO-5-NITRO-N-PHENYLBENZAMIDE
FC52920AS-45658SY094407C4170CS-0151386ST50694182F306565
Database identifiers
- CAS
205827-96-9- PubChem CID
- 779142
- DTXSID
DTXSID20354693
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 74.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 339
Physicochemical properties
- Melting point
- 171 · 171-175 °C(lit.)
- Boiling point
- 330.4 · 330.4±32.0 °C(Predicted)
- Density
- 1.44 · 1.440±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- 26 mg/mL, · DMSO: 26 mg/mL, soluble
- form
- solid
- pka
- 11.66 · 11.66±0.70(Predicted)
- color
- white
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36-43
- Safety Statements
- 26 · 26-36/37
- WGK Germany
- 3 · 3
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
- risk_code
- 36-43
- hazard_code
- Xi
- safety_code
- 26-36/37
Chemistry & industry
Suppliers23 total
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
河南多贝化工有限公司0370-6999054 17550096163 · [email protected]
郑州汇聚化工有限公司13393710386 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
烟台盛凯伦生物制品有限公司13356901049 · [email protected]
Labnetwork lnc.+86-27-50766799 +86-18062016861 · [email protected]
郑州康弗辰医药科技有限公司18210788515; 18210788515 · [email protected]
聊城莱博特生物医药科技有限公司0635-893290 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
烟台盛凯伦化学科技有限公司13356901049 · [email protected]
天津希恩思生化科技有限公司400-6387771-6039 18920764717 · [email protected]
上海瀚香生物科技有限公司17754423994 · [email protected]
Related reactions
2 records
Compound notes
Loading…