Basic information
- CAS
16524-22-4- Standard SMILES
Cc1cccc(Nc2ccccc2C(=O)O)c1- InChIKey
JODCQKTVDXZQEP-UHFFFAOYSA-N- Molecular formula
- C14H13NO2
- Average molar mass
- 227.26 g/mol
- Monoisotopic mass
- 227.09462866
Names & identifiers
- Preferred name
- N-(3-Methylphenyl)anthranilic acid
- IUPAC
- 2-(3-methylanilino)benzoic acid
- English name
- N-(3-Methylphenyl)anthranilic acid
- Molecular formula
- C14H13NO2
- Molecular weight
- 227.26
Names & synonyms
N-(3-Methylphenyl)anthranilic acidBenzoic acid, 2-[(3-methylphenyl)amino]-N-(3-Tolyl)anthranilic acidAnthranilic acid, N-(m-tolyl)-N-m-Tolylanthranilic acidBRN 2214283N-(m-Methylphenyl)anthranilic acidBenzoic acid, 2-((3-methylphenyl)amino)-DTXSID001678694-14-00-01023 (Beilstein Handbook Reference)RefChem:161979DTXCID2090360
Show more names
3-MFAn-(3-tolyl)anthranilicacidn-(m-tolyl)-anthranilicacin-(m-methylphenyl)anthranilicacid2-(3-Methylphenylamino)benzoic acid2-((3-methylphenyl)amino)-benzoicaci
Benzoic acid, 2-((3-methylphenyl)amino)-(9CI)16524-22-42-(m-Tolylamino)benzoic acid2-(3-methylanilino)benzoic acidCHEMBL234792-(3-toluidino)benzoic acid2-(3-METHYLPHENYL)AMINOBENZOIC ACID2-m-Tolylamino-benzoic acid
Database identifiers
- CAS
16524-22-4- PubChem CID
- 85472
- DTXSID
DTXSID00167869- ChEMBL
CHEMBL23479- EC Number
- 803-178-5
- Nikkaji
- J55.261E
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 49.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 267
Experimental & physicochemical properties
LogP4.74
Physicochemical properties
- Melting point
- 142 · 142-144 °C
- Boiling point
- 391.6 · 391.6±25.0 °C(Predicted)
- Density
- 1.233 · 1.233±0.06 g/cm3(Predicted)
- storage temp.
- 2 · Keep in dark place,Sealed in dry,2-8°C
- solubility
- 15 mg/mL, · DMSO: soluble15mg/mL, clear
- pka
- 5.84 · pKa 5.84(5–10%aq. acetone t=25±0.1 I=0.11) (Uncertain)
- form
- powder
- color
- white to beige
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335-H411
- Precautionary statements
- 261 · P261-P273-P305+P351+P338
- Hazard Codes
- Xn,N
- Risk Statements
- 22 · 22-36/37/38-50/53
- Safety Statements
- 26 · 26-60-61
- RIDADR
- 3077 · UN 3077 9 / PGIII
- WGK Germany
- 3 · 3
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 (97.4%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (97.4%)
Safety data
- wgk
- 3
- ridadr
- UN 3077 9 / PGIII
- risk_code
- 22-36/37/38-50/53
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- hazard_code
- Xn,N
- safety_code
- 26-60-61
- Hazard statements
- H302-H315-H319-H335-H411
- Precautionary statements
- P261-P273-P305+P351+P338
Chemistry & industry
Applications
UsesN-(3-Tolyl)anthranilic Acid can be used as a starting material in the synthesis of 10-[[bis(2-Chloroethyl)amino]methyl]-8-methyl-10H-Phenothiazine-1-carboxylic Acid.
Suppliers23 total
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Aladdin Scientific[email protected]
上海泰坦科技股份有限公司4006009262 13023226327 · [email protected]
上海忝晴化工有限公司+86-13816254020 +86-18601759286 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
南京大唐医药科技有限公司025-84341491 13951930983 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海氟瑞化学科技有限公司021-52230662 13795399395 · [email protected]
上海麦克林生化科技股份有限公司50706066 15221275939 · [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 19370895928 · [email protected]
郑州原理生物科技有限公司0371-67897870 18339906974 · [email protected]
苏州诺行贸易有限公司0512-65816829 18662214788 · [email protected]
河南阿尔法化工有限公司0371-55055611 18137792234 · [email protected]
ANHUI WITOP BIOTECH CO., LTD+8618071025641 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
Coresyn Pharmatech Co., Ltd.+86-571-86626709 +86-18157142896 · [email protected]
Jilin Chinese Academy of Sciences-yanshen Technology18143011203 · [email protected]
上海相辉医药科技有限公司13611835272 13611835272 · [email protected]
Henan Allgreen Chemical Co.,LTD+86-37155567971 +86-13633837469 · [email protected]
武汉万鉴生物科技有限公司13277087647 · [email protected]
Zhengzhou Lingzhiyue Technology Co., Ltd+86-0371-55074660 +86-13523716970 · [email protected]
上海泰坦企业发展有限公司16621224781 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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