Basic information
- CAS
27492-84-8- Standard SMILES
COC(=O)c1ccc(N)cc1OC- InChIKey
YUPQMVSYNJQULF-UHFFFAOYSA-N- Molecular formula
- C9H11NO3
- Average molar mass
- 181.19 g/mol
- Monoisotopic mass
- 181.07389321
Names & identifiers
- Preferred name
- Methyl 4-amino-o-anisate
- IUPAC
- methyl 4-amino-2-methoxybenzoate
- English name
- Methyl 4-amino-2-methoxybenzoate
- Molecular formula
- C9H11NO3
- Molecular weight
- 181.19
Names & synonyms
Methyl 4-amino-2-methoxybenzoateBenzoic acid, 4-amino-2-methoxy-, methyl esterMethyl 4-amino-o-anisateEINECS 248-494-9DTXSID70181911RefChem:157586DTXCID10104402248-494-927492-84-84-Amino-2-methoxybenzoic Acid Methyl EsterMFCD00017202methyl 4-amino-2-methoxy-benzoate
Show more names
lenvaint-AAmisulpride Impurity 20Metoclopramide Impurity 04Methyl 4-aMino-4-MethoxybenzoateMethyl 4-amino-2-methaxybenzoatePrucalopride Succinate iMpurit 164-Amino-o-anisic acid methyl ester
Oprea1_1979013-Methoxy-4-methoxycarbonylaniline4-amino-2-methoxy-benzoic acid methyl esterMETHYL 2-METHOXY-4-AMINOBENZOATEMethyl 4-amino-2-methoxybenzenecarboxylate2-methoxy-4-aminobenzoic acid methyl esterMethyl4-amino-2-methoxybenzoateAmisulpride Impurity 37
Database identifiers
- CAS
27492-84-8- PubChem CID
- 168705
- DTXSID
DTXSID70181911- EC Number
- 248-494-9
- Nikkaji
- J38.376G
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 61.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 184
Physicochemical properties
- Melting point
- 155 · 155-159 °C (lit.)
- Boiling point
- 339.2 · 339.2±22.0 °C(Predicted)
- Density
- 1.179 · 1.179±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- solubility
- Chloroform (Slightly), Methanol (Slightly, Heated)
- form
- Solid
- pka
- 2.04 · 2.04±0.10(Predicted)
- color
- White
- InChI
- InChI=1S/C9H11NO3/c1-12-8-5-6(10)3-4-7(8)9(11)13-2/h3-5H,10H2,1-2H3
- InChIKey
- YUPQMVSYNJQULF-UHFFFAOYSA-N
- SMILES
- C(OC)(=O)C1=CC=C(N)C=C1OC
- CAS DataBase Reference
- 27492 · 27492-84-8(CAS DataBase Reference)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P270-P301+P312-P302+P352-P305+P351+P338
- target organs
- Respiratory system
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Faceshields, Gloves
- Hazard Codes
- Xn,Xi
- Risk Statements
- 22 · 22-36/37/38-20/21/22
- Safety Statements
- 26 · 26-36-36/37/39
- WGK Germany
- 2 · 2
- HazardClass
- IRRITANT
- HS Code
- 2916399090 · 2916399090
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 4 OralEye · Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (97.6%): 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 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (97.6%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Faceshields, Gloves
- wgk
- 2
- hs_code
- 2916399090
- risk_code
- 22-36/37/38-20/21/22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn,Xi
- safety_code
- 26-36-36/37/39
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H302-H315-H319-H335
- Hazard Classifications
- Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P270-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Applications
UsesAn intermediate in the synthesis of Metoclopramide.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
国药集团化学试剂有限公司86-21-63210123 · [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]
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上海将来实业股份有限公司400-0066400 13621662912 · [email protected]
Syntechem Co.,Ltd[email protected]
北京华威锐科化工有限公司0757-86329057 18934348241 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
上海德默医药科技有限公司400-021-7337 2355568890 · [email protected]
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上海景颜化工科技有限公司13817811078 · [email protected]
嘉兴市艾森化工有限公司0573-85285100 18627885956 · [email protected]
上海隆盛化工有限公司58099637 13585536065 · [email protected]
山东捷承制药有限公司0531-83130525 18560095177 · [email protected]
安庆奇创药业有限公司18061456370 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
天津希恩思生化科技有限公司400 638 7771 · [email protected]
河南多贝化工有限公司0370-2785118 17550508557 · [email protected]
艾科试剂4008-755-333 18080918076 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
张家港保税区凯利特化工有限公司18606289633 15862625988 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
上海赢瑞生物医药科技有限公司21-33585366 13311639313 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
Labex Corporation+91-11-26135922 or +91-11-46160359 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
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宁波台康化工有限公司0574-87365517 18074210286 · [email protected]
南通烯望新材料有限公司18912257866 · [email protected]
北京环宇世纪化学科技有限公司hysj_bj.com
上海贺康生物技术有限公司17721021104 18939837085 · [email protected]
上海将来实业股份有限公司400-0066400 13621662912 · [email protected]
上海将来实业股份有限公司021-61552785 · [email protected]
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]
山东轩德医药科技有限公司0531-88803958 19862127196 · [email protected]
成都零六生物科技有限公司400-1166-196 13458535857 · [email protected]
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
上海御略医药科技有限公司021-60345187 13671753212 · [email protected]
济南泺合医药技术有限公司86-0531-68658065 15726150375 · [email protected]
上海乾劲化工科技有限公司021-20900665 17321230821 · [email protected]
杭州杰恒化工有限公司0571-87396432 · [email protected]
上海嵩爰化工科技有限公司010-1234567 18521000990 · [email protected]
上海有朋化工有限公司021-69005955 13701776567 · [email protected]
北京海力扬化学科技有限公司13718199399 · [email protected]
Related reactions
617 records
Compound notes
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