Basic information
- CAS
56705-51-2- Standard SMILES
Nc1ccc(Oc2cccc(Cl)c2)cc1- InChIKey
COOTUHZXYCEPGE-UHFFFAOYSA-N- Molecular formula
- C12H10ClNO
- Average molar mass
- 219.66 g/mol
- Monoisotopic mass
- 219.0450916
Names & identifiers
- Preferred name
- 4-(3-Chlorophenoxy)aniline
- IUPAC
- 4-(3-chlorophenoxy)aniline
- English name
- 4-(3-Chlorophenoxy)benzamide
- Molecular formula
- C12H10ClNO
- Molecular weight
- 219.67
Names & synonyms
4-(3-chlorophenoxy)anilineRefChem:513138890-093-156705-51-23'-Chloro-4-aminobiphenyl etherp-(m-Chlorophenoxy)aniline4-(3-chlorophenoxy)benzamideBENZENAMINE, 4-(3-CHLOROPHENOXY)-MFCD01733273[4-(3-chlorophenoxy)phenyl]amineALBB-0101744-(3-chlorophenoxy)phenylamine
Show more names
4-Amino-3'-chlorodiphenyl ether4-(3-chlorophenoxy)aniline - [AC80032]4-(3-chlorophenoxy)aniline(SALTDATA: FREE)
4-(3-Chlorophenoxy)benzenamineSCHEMBL555102SCHEMBL27804029SCHEMBL29442860DTXSID90205264COOTUHZXYCEPGE-UHFFFAOYSA-NSBB022455STK347807
Database identifiers
- CAS
56705-51-2- PubChem CID
- 41972
- DTXSID
DTXSID90205264- EC Number
- 890-093-1
- Nikkaji
- J73.208G
Properties
Computed structural properties
- XLogP
- 3.9
- 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
- 192
Physicochemical properties
- Boiling point
- 350.5 · 350.5±27.0 °C(Predicted)
- Density
- 1.26 · 1.260±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C, protect from light
- pka
- 4.7 · 4.70±0.10(Predicted)
- Appearance
- Light yellow to brown Solid
- InChI
- 1S/C12H10ClNO/c13-9-2-1-3-12(8-9)15-11-6-4-10(14)5-7-11/h1-8H,14H2
- InChIKey
- COOTUHZXYCEPGE-UHFFFAOYSA-N
- SMILES
- Nc1ccc(Oc2cccc(Cl)c2)cc1
- EWG's Food Scores
- 1 · 1
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 317 · H317-H319
- Precautionary statements
- 280 · P280-P305+P351+P338
- WGK Germany
- 3 · WGK 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.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- wgk
- WGK 3
- hs_code
- 2921490090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H317-H319
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers19 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
安徽合诺生物科技有限公司0555-2761852
西安美科生物科技有限公司029-18710438009 18710438009 · [email protected]
安徽合诺生物科技有限公司18455579438
ChemeGen 中国18818260767 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 4008675858 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
Guangzhou Yuheng Pharmaceutical Technology Co., Ltd+8613580539051 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 19370895928 · [email protected]
上海吉至生化科技有限公司021-4009004166/18616739031 18616739031 · [email protected]
Aladdin Scientific[email protected]
常州千艾生物科技有限公司051915240519135 13961152745 · [email protected]
合肥钼凯医药科技有限公司18130062233 · [email protected]
Related reactions
3 records
Compound notes
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