Basic information
- Standard SMILES
Nc1ccc(Oc2ccc(Cl)cc2)cc1- InChIKey
YTISFYMPVILQRL-UHFFFAOYSA-N- Molecular formula
- C12H10ClNO
- Average molar mass
- 219.66 g/mol
- Monoisotopic mass
- 219.04509162
Names & identifiers
- Preferred name
- 4-(4-Chlorophenoxy)aniline
- IUPAC
- 4-(4-chlorophenoxy)aniline
- English name
- 4-Amino-4'-chlorodiphenyl ether
- Molecular formula
- C12H10ClNO
- Molecular weight
- 219.67
Names & synonyms
4-(4-Chlorophenoxy)anilineBenzenamine, 4-(4-chlorophenoxy)-4-(4-Chlorophenoxy)benzenamine4-Chloro-4'-aminodiphenyl ether4-Amino-4-chlorodiphenyl ether[4-(4-chlorophenoxy)phenyl]amineDTXSID1020275EINECS 202-976-5BRN 0782540DTXCID102753-13-00-00999 (Beilstein Handbook Reference)(4-(4-chlorophenoxy)phenyl)amine
Show more names
SALOR-INT L300845-1EAAmoxapine Impurity 214-Chlorophenoxyanilinep-(p-chlorophenoxy)-anilin4-(p-Chlorophenoxy)aniline4-(4'-CHLOROPHENOXY)ANILINE4-(4-Chlorophenoxy)benzamide
RefChem:97216202-976-5YTISFYMPVILQRL-UHFFFAOYSA-N101-79-14-Amino-4'-chlorodiphenyl etherp-(p-Chlorophenoxy)anilineAniline, p-chlorophenoxy-ANILINE, p-(p-CHLOROPHENOXY)-
Database identifiers
- CAS
101-79-1- PubChem CID
- 7578
- DTXSID
DTXSID1020275- ChEMBL
CHEMBL1521156- UNII
- CSQ9MY7PQ9
- EC Number
- 202-976-5
- Nikkaji
- J55.365D
Properties
Computed structural properties
- XLogP
- 2.7
- 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
- 184
Physicochemical properties
- Melting point
- 99 · 99-103 °C
- Boiling point
- 205 °C · 205 °C / 12mmHg
- Density
- 1.1764 · 1.1764 (rough estimate)
- refractive index
- 1.6 · 1.6000 (estimate)
- storage temp.
- 2 · 2-8°C
- solubility
- DMSO (Slightly), Methanol (Slightly, Heated)
- pka
- 4.6 · 4.60±0.10(Predicted)
- form
- powder to crystal
- color
- White to Light yellow to Light orange
- Water Solubility
- Insoluble in water.
- InChI
- 1S/C12H10ClNO/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8H,14H2
- InChIKey
- YTISFYMPVILQRL-UHFFFAOYSA-N
- SMILES
- Nc1ccc(Oc2ccc(Cl)cc2)cc1
- CAS DataBase Reference
- 101 · 101-79-1(CAS DataBase Reference)
- EPA Substance Registry System
- 4 · Benzenamine, 4-(4-chlorophenoxy)- (101-79-1)
- UNSPSC Code
- 12352100 · 12352100
- Symbol(GHS)
- 5 · GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 302 · H302-H315-H317-H318-H335
- Precautionary statements
- 280 · P280-P301+P312+P330-P302+P352-P305+P351+P338+P310
- target organs
- Respiratory system
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Faceshields, Gloves
- Hazard Codes
- Xi,Xn
- Risk Statements
- 36 · 36/37/38-40-43-41-37/38-22
- Safety Statements
- 26 · 26-36/37/39-36/37
- WGK Germany
- 3 · 3
- RTECS
- 1770000 · BX1770000
- TSCA
- TSCA listed
- HazardClass
- IRRITANT
- HS Code
- 29222990 · 29222990
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 4 OralEye · Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2Skin Sens. 1STOT SE 3
Safety & regulation
GHS classification
GHS Classification
Danger
H302 (94.7%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P333+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 75 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (94.7%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Faceshields, Gloves
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- BX1770000
- hs_code
- 29222990
- risk_code
- 36/37/38-40-43-41-37/38-22
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- hazard_code
- Xi,Xn
- safety_code
- 26-36/37/39-36/37
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H302-H315-H317-H318-H335
- Hazard Classifications
- Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2Skin Sens. 1STOT SE 3
- Precautionary statements
- P280-P301+P312+P330-P302+P352-P305+P351+P338+P310
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzenamine, 4-(4-chlorophenoxy)-: ACTIVE
Applications
UsesIt is used as an active pharmaceutical intermediate.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers50 total
上海康恩博医药科技有限公司17510465506 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
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]
安徽合诺生物科技有限公司0555-2761852
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
上海辅欣医药科技有限公司+86-021-021-50872116 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
广东元丰化学试剂有限公司0751-2829979 13318593351 · [email protected]
常州安轩化工有限公司13912302692 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
成都添福瑞生物科技有限公司18030648795 18030648795 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
上海钰康生物科技有限公司18939844854 · [email protected]
上海隆盛化工有限公司58099637 13585536065 · [email protected]
菏泽博纳医药科技有限公司15865805009 · [email protected]
Aceschem Inc.+1-817863-6948 +1-（817）863-6948 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
玛雅试剂+86 (573) 82222445 (0)18006601000 452520369 · [email protected]
上海珂华生物科技有限公司021-60455363 18019463053 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
卡迪亚医药科技有限公司0371-86615086 18203638366 0371-86159066 13526786601
上海默衡科技有限公司15001930925 · [email protected]
陕西麟邦实业有限公司17709134430 · [email protected]
盐城奥科联合医药科技有限公司0515-89701588 13770166955 · [email protected]
杭州噻伏新材料科技有限公司0571-86113725 15372021306
HBCChem, Inc.+1-510-219-6317 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
常州天瑞医药科技有限公司0519-85386832 13382812559 · [email protected]
青岛海智微元生物科技有限公司18317699790 18317699790 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
常州言己生物科技有限公司0519-83556355 18015005120 · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
Henan Alfa Chemical Co., Ltd+8618339805032 · [email protected]
上海谱振生物科技有限公司4001650900 13817534909 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
厦门志信化学有限公司+86-5922680277 +86-13806087780 · [email protected]
上海超岚化工科技中心（原宁波市超明生物科技有限公司）13301662590 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
江西弗莱医药科技有限公司15870833005 · [email protected]
Related reactions
28 records
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