Basic information
- CAS
5335-29-5- Standard SMILES
Nc1ccc(Oc2ccccc2)c(Cl)c1- InChIKey
KFJFBKCMYYAWHI-UHFFFAOYSA-N- Molecular formula
- C12H10ClNO
- Average molar mass
- 219.66 g/mol
- Monoisotopic mass
- 219.04509162
Names & identifiers
- Preferred name
- 3-Chloro-4-phenoxyaniline
- IUPAC
- 3-chloro-4-phenoxyaniline
- English name
- 3-CHLORO-4-PHENOXYANILINE
- Molecular formula
- C12H10ClNO
- Molecular weight
- 219.67
Names & synonyms
3-CHLORO-4-PHENOXYANILINE5335-29-5DTXSID80277571RefChem:278347DTXCID20228729(3-chloro-4-phenoxyphenyl)amineMFCD004596473-chloro-4-phenoxyphenylamineBenzenamine,3-chloro-4-phenoxy-AKOS B021984NSC29143-chloro-4-phenoxy-aniline
Show more names
NSC 2914ART-CHEM-BB B021984CHEMBRDG-BB 40124113-chloro-4-phenoxyaniline HCl2-Chloro-4-aminodiphenyl etherBenzenamine, 3-chloro-4-phenoxy-
3-Chloro-4-phenoxybenzenamineSCHEMBL1374919SCHEMBL4722337SCHEMBL5661983SCHEMBL27730453SCHEMBL30617019KFJFBKCMYYAWHI-UHFFFAOYSA-N3-Chloro-4-phenoxyaniline ,97%
Database identifiers
- CAS
5335-29-5- PubChem CID
- 220320
- DTXSID
DTXSID80277571
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 35.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 194
Physicochemical properties
- Boiling point
- 335.9 · 335.9±32.0 °C(Predicted)
- Density
- 1.26 · 1.260±0.06 g/cm3(Predicted)
- pka
- 3.7 · 3.70±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H317-H319-H335
- Precautionary statements
- 261 · P261-P280-P305+P351+P338
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H317-H319-H335
- Precautionary statements
- P261-P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers30 total
Changzhou Anxuan Chemical Co., Ltd+86-0519-89882563 +86-18961279162 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [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]
上海辅欣医药科技有限公司+86-021-021-50872116 · [email protected]
常州安轩化工有限公司13912302692 · [email protected]
北京依特能化学科技有限责任公司010-59484199 18611897322;18611897322 · [email protected]
菏泽博纳医药科技有限公司15865805009 · [email protected]
天津安浩生物科技有限公司[email protected]
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河南威梯希化工科技有限公司0371-53370800 18037197114 · [email protected]
Capot Chemical Co.,Ltd.+86-（0）57185586718 +86-13336195806 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 13913916777 · [email protected]
Zjartspharm Co., Ltd15068876005 · [email protected]
海蔚化学86-21-51086038 · [email protected]
Aladdin Scientific[email protected]
Aromsyn Co., Ltd.+86-0571-85585865 +86-13336024896 · [email protected]
上海肯恩化学科技有限公司13701870891; 02152215958 · [email protected]
上海锋基医药科技有限公司15555063509 · [email protected]
陕西缔都医药有限责任公司81148925 17391631969 · [email protected]
合肥钼凯医药科技有限公司18130062233 · [email protected]
上海捷世凯生物科技有限公司021-57520305 13795461237 · [email protected]
天津安浩生物科技有限公司02284840027 18602254930 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
南京世洲生物科技有限公司17301488900 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Dideu Industries Group Limited+8617392712697 · [email protected]
Related reactions
3 records
Compound notes
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