Basic information
- CAS
169044-96-6- Standard SMILES
COC(=O)c1cc(Br)c(OC)cc1N- InChIKey
SFXCMXLNSVHKCE-UHFFFAOYSA-N- Molecular formula
- C9H10BrNO3
- Average molar mass
- 260.08 g/mol
Names & identifiers
- Preferred name
- Methyl 2-amino-5-bromo-4-methoxybenzoate
- IUPAC
- methyl 2-amino-5-bromo-4-methoxybenzoate
- English name
- 2-Amino-5-bromo-4-methoxy-benzoic acid methyl ester
- Molecular formula
- C9H10BrNO3
- Molecular weight
- 260.08
Names & synonyms
methyl 2-amino-5-bromo-4-methoxybenzoate169044-96-6RefChem:814057852-132-0MFCD21868787Benzoic acid, 2-amino-5-bromo-4-methoxy-, methyl esterSCHEMBL856563AKOS017955460methyl2-amino-5-bromo-4-methoxybenzoateSY126308CS-0139472Z1318418562
Show more names
Methyl 2-Amino-5-Bromo-4-Methoxybenzoate(WXC00595)2-Amino-5-bromo-4-methoxy-benzoic acid methyl ester
methyl 2-amino-5-bromo-4-methoxybenzenoateUGA04496STL450377AS-69533DB-351846methyl 2-amino-5-bromo-4-methoxy-benzoateBenzoic acid, 2-amino-5-bromo-4-methoxy-, mEN300-210976
Database identifiers
- CAS
169044-96-6- PubChem CID
- 19701951
- EC Number
- 852-132-0
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 61.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 212
Physicochemical properties
- Boiling point
- 341.9 · 341.9±37.0 °C(Predicted)
- Density
- 1.531 · 1.531±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- pka
- 1.74 · 1.74±0.10(Predicted)
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H335-H302-H315
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
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, 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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H335-H302-H315
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers41 total
上海康恩博医药科技有限公司17510465506 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
Sichuan Biosynce Pharmatech Co., Ltd.[email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
上海凌凯科技股份有限公司58950110 13124863828 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
Aladdin Scientific[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]
南京药石科技股份有限公司025-86918202 4000255188 · [email protected]
烟台凯博医药科技有限公司0535-6385396 · [email protected]
河南阿尔法化工有限公司0371-55013243 15324716602 · [email protected]
南京环合生物科技有限公司18605270162 · [email protected]
苏州施亚生物科技有限公司86(512)5235 8471 17715136450 · [email protected]
成都海品信医药科技有限公司85114309 18982182443 · [email protected]
上海安米克化学品有限公司微信 17321281695 18019252918 · [email protected]
徐州睿诚致合生物医药技术有限公司15195955353 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
苏州美石生物科技有限公司1173954148q · [email protected]
苏州施亚生物科技有限公司0512-0512-52358471 17715136450 · [email protected]
南京药石科技股份有限公司4000255188 · [email protected]
阜阳金胜凯医药科技有限公司18915409046 · [email protected]
上海颖心实验室设备有限公司021-021-59178156 15300768757 · [email protected]
苏州斯凯诺森生物科技有限公司19951323309 · [email protected]
上海平果医药科技有限公司021-20432229 · [email protected]
西安速加医药科技有限公司029-86115547 17791676824 · [email protected]
药明览博(武汉)化学科技有限公司022-59987777 13552403979 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 19370895928 · [email protected]
聿锦（天津）科技有限公司13370351217 kungfu1217@1 · [email protected]
范德(北京)生物科技有限责任公司15911056312 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
上海凯为化学科技有限公司021-58461859 15821823057 · [email protected]
联化昂健医药科技（上海）有限公司18918657159 · [email protected]
Cochemical Co. Ltd.+86-029-86115547 +86-17791676824 · [email protected]
上海捷世凯生物科技有限公司021-57520305 13795461237 · [email protected]
北京偶合科技有限公司13552068683 13522913783 · [email protected]
上海泰坦企业发展有限公司16621224781 · [email protected]
上海锐谱医药科技有限公司15895968936 · [email protected]
上海盛袖生物科技有限公司13761144602 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
1 records
Compound notes
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