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Basic information
- CAS
31465-35-7- Standard SMILES
Nc1ccc(Oc2ccc(Br)cc2)cc1- InChIKey
ZQMNUMBREHBKEB-UHFFFAOYSA-N- Molecular formula
- C12H10BrNO
- Average molar mass
- 264.12 g/mol
- Monoisotopic mass
- 262.99457604
Names & identifiers
- Preferred name
- 4-(4-Bromophenoxy)aniline
- IUPAC
- 4-(4-bromophenoxy)aniline
- English name
- 4-(4-Bromophenoxy)aniline
- Molecular formula
- C12H10BrNO
- Molecular weight
- 264.12
Names & synonyms
4-(4-bromophenoxy)aniline31465-35-7DTXSID80353940RefChem:97204DTXCID60305003625-822-2MFCD004596114-(4-bromophenoxy)benzenamineBenzenamine,4-(4-bromophenoxy)-MLS0003353704-(4-bromophenoxy)phenylamineSCHEMBL1372200
Show more names
JR-8689, 4-(4-Bromophenoxy)benzenamine, 97%
CHEMBL14783084-(4-Bromophenoxy)aniline 97%ZQMNUMBREHBKEB-UHFFFAOYSA-NHMS2533C084-(4-Bromophenoxy)aniline, 97%STK247696AKOS000215002CCG-103145
Database identifiers
- CAS
31465-35-7- PubChem CID
- 759367
- DTXSID
DTXSID80353940- ChEMBL
CHEMBL1478308- EC Number
- 625-822-2
Properties
Computed structural propertiesFilling in
- 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
- 104 · 104-108 °C
- Boiling point
- 365.1 · 365.1±22.0 °C(Predicted)
- Density
- 1.479 · 1.479±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 4.6 · 4.60±0.10(Predicted)
- form
- solid
- Appearance
- Off-white to light brown Solid
- InChI
- 1S/C12H10BrNO/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8H,14H2
- InChIKey
- ZQMNUMBREHBKEB-UHFFFAOYSA-N
- SMILES
- Nc1ccc(Oc2ccc(Br)cc2)cc1
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H317
- Precautionary statements
- 280 · P280-P301+P312+P330-P302+P352
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, P270, P272, P280, P301+P317, P302+P352, P321, P330, P333+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Faceshields, Gloves
- wgk
- 3
- risk_code
- 22-43
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 36/37
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H317
- Hazard Classifications
- Acute Tox. 4 OralSkin Sens. 1
- Precautionary statements
- P280-P301+P312+P330-P302+P352
Chemistry & industry
Suppliers26 total
西安美科生物科技有限公司029-18710438009 18710438009 · [email protected]
Aladdin Scientific[email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
石家庄斯迪亚诺精细化工有限公司0311-89250318 13582355795 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
南京诺利斯医药科技有限公司13901585132 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
上海贤鼎生物科技有限公司4009209199 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
陕西缔都医药化工有限公司+86-029-81138252 +86-173 9270 1263 · [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]
ZHENGZHOU JIUYI TIME NEW MATERIALS CO,.LTD+8613676922317 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.
Related reactions
1 records
Compound notes
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