Basic information
- CAS
52727-62-5- Standard SMILES
COC(=O)c1cc(Cl)cc(Cl)c1N- InChIKey
FODZNORQIATQIP-UHFFFAOYSA-N- Molecular formula
- C8H7Cl2NO2
- Average molar mass
- 220.05 g/mol
- Monoisotopic mass
- 218.98538382
Names & identifiers
- Preferred name
- Methyl 2-amino-3,5-dichlorobenzoate
- IUPAC
- methyl 2-amino-3,5-dichlorobenzoate
- English name
- METHYL 2-AMINO-3,5-DICHLOROBENZOATE
- Molecular formula
- C8H7Cl2NO2
- Molecular weight
- 220.05
Names & synonyms
Methyl 2-amino-3,5-dichlorobenzoate52727-62-5DTXSID30346529RefChem:813914DTXCID10297601981-458-7Methyl 3,5-dichloroanthranilateMFCD074398092-Amino-3,5-dichloro-benzoic acid methyl esterBenzoic acid, 2-amino-3,5-dichloro-, methyl esterMETHYL2-AMINO-3,5-DICHLOROBENZOATE2-Amino-3,5-dichlorobenzoic acid methyl ester
Show more names
methyl 2-amino-3,5-dichlorobenzoate(SALTDATA: FREE)
3KY2E5PN2KSCHEMBL1405982-Amino-3,5-dichloro-benzoic amethyl 3,5-dichloro-2-aminobenzoatemethyl-2-amino-3,5-dichlorobenzoateSTK914002AKOS002336750methyl 2-amino-3,5-dichloro-benzoate
Database identifiers
- CAS
52727-62-5- PubChem CID
- 613050
- DTXSID
DTXSID30346529- UNII
- 3KY2E5PN2K
- EC Number
- 981-458-7
- Nikkaji
- J89.714K
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 201
Physicochemical properties
- Melting point
- 63 · 63-64 °C
- Boiling point
- 315.8 · 315.8±37.0 °C(Predicted)
- Density
- 1.433 · 1.433±0.06 g/cm3(Predicted)
- pka
- -0.18 · -0.18±0.10(Predicted)
Safety & regulation
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)
Aggregated GHS information provided per 2 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%)
Chemistry & industry
Suppliers30 total
天津始加生物医药科技有限公司15022261580 · [email protected]
Changzhou Carman Chemical Co., Ltd.15061933924
广州佳途科技股份有限公司81960175 18933936954 · [email protected]
常州市阿尔捷化工商贸有限公司13813686894 · [email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
常州鑫研合医药科技有限公司0519-85252752 15366845260 · [email protected]
陕西缔都医药化工有限公司029-81024372 17792795018 · [email protected]
徐州睿诚致合生物医药技术有限公司15195955353 · [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]
上海缮远医药科技有限公司021-31761238 13167072949 · [email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]
上海修时生物医药有限公司15002184385 15021598081 15002184385 · [email protected]
郑州汇聚化工有限公司0371-55900031 18137872243 · [email protected]
大连金点生物科技有限公司0411-0411-00000000 13644282108 · [email protected]
上海程研医药科技有限公司15380089981 · [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025-58851090 13913916777 · [email protected]
河南利恩化工产品有限公司03716091-9097 13383857418 · [email protected]
四川铂友生物科技有限公司（原四川佰朋）028-65791793 18140026355 · [email protected]
上海康恩博医药科技有限公司17510465506 · [email protected]
合肥钼凯医药科技有限公司18130062233 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
烟台盛凯伦化学科技有限公司开发区第一分公司13356901049 · [email protected]
陕西缔都医药化工有限公司+86-29-87569266 +86-17392581500 · [email protected]
JACS-郑州杰克斯化工产品有限公司0371-86259281 13223061139 · [email protected]
AFINE CHEMICALS LIMITED+86-571-85134551 +86-18958018566 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
武汉创合化学有限公司15907120073 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Related reactions
6 records
Compound notes
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