Basic information
- CAS
61948-85-4- Standard SMILES
COc1cc(C(=O)O)c(N)c(OC)c1OC- InChIKey
JSHSRQCOCMIIPA-UHFFFAOYSA-N- Molecular formula
- C10H13NO5
- Average molar mass
- 227.21 g/mol
- Monoisotopic mass
- 227.07937252
Names & identifiers
- Preferred name
- 3,4,5-Trimethoxyanthranilic acid
- IUPAC
- 2-amino-3,4,5-trimethoxybenzoic acid
- English name
- 2-Amino-3,4,5-trimethoxybenzoic acid
- Molecular formula
- C10H13NO5
- Molecular weight
- 227.21
Names & synonyms
3,4,5-Trimethoxyanthranilic acidEINECS 263-344-2DTXSID80210983NSC 81441RefChem:485763DTXCID10133474263-344-22-Amino-3,4,5-trimethoxybenzoic acid61948-85-4MFCD00051630Benzoic acid, 2-amino-3,4,5-trimethoxy-FR8F65J27W
Show more names
BUTTPARK 121\04-662-Amino-3,4,5-trimethoxybenzoicAcid>Benzoic acid, 2-amino-3,4,5-trimethoxy-4-[(E)-2-(3-nitrophenyl)ethenyl]cinnoline2-AMINO-3,4,5-TRIMETHOXYBENZOIC ACID USP/EP/BP
NSC-81441NSC81441Maybridge1_001555UNII-FR8F65J27WOprea1_155469SCHEMBL2034454HMS545O15BDBM801789
Database identifiers
- CAS
61948-85-4- PubChem CID
- 96602
- DTXSID
DTXSID80210983- UNII
- FR8F65J27W
- EC Number
- 263-344-2
- Nikkaji
- J306.951F
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 91 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 247
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Melting point
- 137 · 137-141 °C (lit.)
- Boiling point
- 371 · 371.0±42.0 °C(Predicted)
- Density
- 1.289 · 1.289±0.06 g/cm3(Predicted)
- storage temp.
- 2 · Storage temp. 2-8°C
- pka
- 2.23 · 2.23±0.10(Predicted)
- form
- powder to crystal
- color
- White to Light yellow
- λmax
- 339 nm · 339nm(EtOH)(lit.)
- BRN
- 3353856 · 3353856
- Major Application
- peptide synthesis
- InChI
- 1S/C10H13NO5/c1-14-6-4-5(10(12)13)7(11)9(16-3)8(6)15-2/h4H,11H2,1-3H3,(H,12,13)
- InChIKey
- JSHSRQCOCMIIPA-UHFFFAOYSA-N
- SMILES
- COc1cc(C(O)=O)c(N)c(OC)c1OC
- CAS DataBase Reference
- 61948 · 61948-85-4(CAS DataBase Reference)
- FDA UNII
- 8 F65J27W · FR8F65J27W
- UNSPSC Code
- 12352106 · 12352106
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 317 · H317
- Precautionary statements
- 280 · P280
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Faceshields, Gloves
- Hazard Codes
- Xi
- Risk Statements
- 43 · 43
- Safety Statements
- 28 · 28-36/37
- WGK Germany
- 3 · 3
- HS Code
- 2922.49 · 2922.49.8000
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 1 · Skin Sens. 1
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
H315 (13.3%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P272, P280, P302+P352, P305+P351+P338, P321, P332+P317, P333+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 45 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 CategoriesSkin Irrit. 2 (13.3%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Faceshields, Gloves
- wgk
- 3
- hs_code
- 2922.49.8000
- risk_code
- 43
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 28-36/37
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H317
- Hazard Classifications
- Skin Sens. 1
- Precautionary statements
- P280
Chemistry & industry
Applications
Uses2-Amino-3,4,5-trimethoxybenzoic Acid is a useful raw material for the chemical and pharmaceutical industry.
Suppliers52 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
北京诺德恒信化工技术有限公司010-84929330 13811281791 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
浙江珲达生物科技有限公司0571-89903022 18679456698 · [email protected]
Aladdin Scientific[email protected]
Syntechem Co.,Ltd[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [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]
广东方信生物科技有限公司0751-2838688 13376594225 · [email protected]
天津希恩思生化科技有限公司400 638 7771 · [email protected]
济南千叶医药技术有限公司0531-81313138 13066006660 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
陕西麟邦实业有限公司17709134430 · [email protected]
上海麦克林生化科技股份有限公司15221275939 15221275939 · [email protected]
陕西缔都医药化工有限公司029-81024372 17792795018 · [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]
天津荣燊化工有限公司18317763565; 18317763565 · [email protected]
资川生化科技(苏州)有限公司0512-66317708 13372112871 · [email protected]
广东翁江化学试剂有限公司0751-2886766 13927870850 · [email protected]
成都华纯科技有限公司400-1166-196 15982826727 · [email protected]
广州市金华大化学试剂有限公司020-84383047 · [email protected]
上海贤鼎生物科技有限公司021-021-52271985 17721149837 · [email protected]
济南千叶医药技术有限公司70803088888 · [email protected]
Shanghai Acmec Biochemical Technology Co., Ltd.+86-18621343501 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 15955137747 · [email protected]
上海启乔生物科技有限公司021-37653318 15221675714 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
上海吉至生化科技有限公司021-4009004166/18616739031 18616739031 · [email protected]
上海珂华生物科技有限公司021-58581007 18019463053 · [email protected]
TCI Chemicals (India) Pvt. Ltd.[email protected]
Aromsyn Co., Ltd.+86-0571-85585865 +86-13336024896 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
郑州汇聚化工有限公司037155153829 18003835034 · [email protected]
上海凯为化学科技有限公司021-58461859 15821823057 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
SHANGHAI KEAN TECHNOLOGY CO., LTD.+8613817748580 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 18917919676 · [email protected]
山东天铭生物科技发展有限责任公司400-9019001 400-901-9001
重庆卡兰医药有限公司[email protected]
JACS-郑州杰克斯化工产品有限公司0371-86259281 13223061139 · [email protected]
Hefei TNJ Chemical Industry Co.,Ltd.+86-0551-65418671 +86-189 4982 3763 · [email protected]
资川生化科技(苏州)有限公司0512-66317708 13372112871 · [email protected]
Related reactions
1 records
Compound notes
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