2-Amino-5-methylbenzoic acid (HCID 76255)

Names & identifiers

Preferred name: 2-Amino-5-methylbenzoic acid
IUPAC: 2-amino-5-methylbenzoic acid
English name: 2-Amino-5-methylbenzoic acid
Molecular formula: C8H9NO2
Molecular weight: 151.16

Names & synonyms

2-Amino-5-methylbenzoic acid2941-78-8Benzoic acid, 2-amino-5-methyl-6-Amino-m-toluic acidm-Toluic acid, 6-amino-2-Carboxy-4-methylaniline5-methyl-2-aminobenzoic acid418XAJ22V2EINECS 220-932-3DTXSID40183629NSC-39154NSC-50786

Show more names

Fluralaner-0322-Amino-5-methyLBUTTPARK 41\07-016-Amino-m-toluylsureCetilistat Impurity 6OTAVA-BB BB7719100016

NSC 39154NSC 50786RefChem:464639DTXCID30106120InChI=1/C8H9NO2/c1-5-2-3-7(9)6(4-5)8(10)11/h2-4H,9H2,1H3,(H,10,115-Methylanthranilic acidMFCD000079092-amino-5-methyl-benzoic acid

Database identifiers

CAS: 2941-78-8
PubChem CID: 76255
DTXSID: DTXSID40183629
UNII: 418XAJ22V2
EC Number: 220-932-3
Nikkaji: J80.595E

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 63.3 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 11
Formal charge: 0
Complexity: 158

Physicochemical properties

Melting point: 175 °C · 175 °C (dec.) (lit.)
Boiling point: 273.17 °C · 273.17°C (rough estimate)
Density: 1.2023 · 1.2023 (rough estimate)
refractive index: 1.581 · 1.5810 (estimate)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
solubility: DMSO (Slightly), Methanol (Slightly)
form: Powder
pka: 2.27 · 2.27±0.10(Predicted)
color: Off-white to beige
BRN: 1101527 · 1101527
Major Application: peptide synthesis
InChI: InChI=1S/C8H9NO2/c1-5-2-3-7(9)6(4-5)8(10)11/h2-4H,9H2,1H3,(H,10,11)
InChIKey: NBUUUJWWOARGNW-UHFFFAOYSA-N
SMILES: C(O)(=O)C1=CC(C)=CC=C1N
CAS DataBase Reference: 2941 · 2941-78-8(CAS DataBase Reference)
FDA UNII: 418 XAJ22V2 · 418XAJ22V2
NIST Chemistry Reference: 2 · 2-Amino-5-methylbenzoic acid(2941-78-8)
UNSPSC Code: 12352106 · 12352106
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36-37/39
WGK Germany: 3 · 3
F: 10 · 10
HazardClass: IRRITANT
HS Code: 29224999 · 29224999
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 51 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

F: 10
PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
hs_code: 29224999
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-36-37/39
hazard_class: IRRITANT
Storage Class: 11 - Combustible Solids
target organs: Respiratory system
Hazard statements: H315-H319-H335
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P264-P271-P280-P302+P352-P305+P351+P338

Chemistry & industry

Applications

Uses2-Amino-5-methylbenzoic acid can be used to synthesize quinazolinedione.

Upstream & downstream products

Upstream raw materials

Downstream products

2-BROMO-5-METHYLBENZOIC ACID 2-IODO-5-METHYLBENZOIC ACID 2,4(1H,3H)-Quinazolinedione, 6-methyl-2-AMINO-5-METHYLBENZAMIDE METHYL 2-BROMO-5-METHYLBENZOATE 3-bromo-5-methylbenzoic acid 3-Hydroxy-6-methylbenzo[d][1,2,3]triazin-4(3H)-one 3-amino-6-methyl-2-sulfanylidene-1H-quinazolin-4-one 2-(isobutyrylamino)-5-methylbenzoic acid 2-amino-N,5-dimethylbenzamide

Suppliers50 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]

INTATRADE GmbH+49 3493/605464 · [email protected]

爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]

Related reactions

102 records

New reaction record

HRID 22423As reactantuspto-grants-1995_06

HRID 37221As reactantuspto-grants-1995_05

HRID 131929As reactantuspto-grants-2008_06

HRID 142771As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 156061As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 215273As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 255859As reactantuspto-grants-1987_10

HRID 257817As reactantuspto-grants-1993_11

Linked notes

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Basic information