CAS 570-23-0 3-Aminosalicylic acid (HCID 68443)

Names & identifiers

Preferred name: 3-Aminosalicylic acid
IUPAC: 3-amino-2-hydroxybenzoic acid
English name: 3-Aminosalicylic acid
Molecular formula: C7H7NO3
Molecular weight: 153.14

Names & synonyms

3-Aminosalicylic acid3-Amino-2-hydroxybenzoic acidSalicylic acid, 3-amino-WN7T1GM9RMEINECS 209-328-0UNII-WN7T1GM9RMNSC 285111NSC-285111MESALAZINE IMPURITY F [EP IMPURITY]DTXSID908622153-AMINOSALICYLIC ACID [USP IMPURITY]MESALAZINE IMPURITY F (EP IMPURITY)

Show more names

TIMTEC-BB SBB001895Mesalazine Impurity FMesalaMine IMpurity FMesalazine Impurity 6Mesalazine EP IMpurity FMesalamine EP Impurity F3-AMINOSALICYLIC ACID 98%

3-AMINOSALICYLIC ACID (USP IMPURITY)RefChem:93008DTXCID00811012Salicylic acid, 3-amino-(8CI)209-328-0InChI=1/C7H7NO3/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3,9H,8H2,(H,10,11IQGMRVWUTCYCST-UHFFFAOYSA-N570-23-0

Database identifiers

CAS: 570-23-0
PubChem CID: 68443
DTXSID: DTXSID90862215
ChEMBL: CHEMBL1650630
ChEBI: CHEBI:89327
UNII: WN7T1GM9RM
EC Number: 209-328-0
Nikkaji: J26.980H

Properties

Computed structural properties

XLogP: 0.9
Topological polar surface area: 83.6 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 4
Rotatable bonds: 1
Heavy atoms: 11
Formal charge: 0
Complexity: 160

Experimental & physicochemical properties

Physical DescriptionSolid

Collision Cross Section122.07 Å² [M-H]- [CCS Type: DT; Method: single field calibrated with Agilent tune mix (Agilent)]

Physicochemical properties

Melting point: 240 °C · 240 °C (dec.) (lit.)
Boiling point: 276.03 °C · 276.03°C (rough estimate)
Density: 1.3585 · 1.3585 (rough estimate)
refractive index: 1.55 · 1.5500 (estimate)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
solubility: DMSO (Slightly), Methanol (Slightly, Heated)
form: Powder
pka: 2.13 · 2.13±0.10(Predicted)
color: tan to brown
Water Solubility: Slightly soluble in water
BRN: 2090427 · 2090427
Stability: Hygroscopic
Major Application: peptide synthesis
InChI: 1S/C7H7NO3/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3,9H,8H2,(H,10,11)
InChIKey: IQGMRVWUTCYCST-UHFFFAOYSA-N
SMILES: Nc1cccc(C(O)=O)c1O
CAS DataBase Reference: 570 · 570-23-0(CAS DataBase Reference)
FDA UNII: 7 T1GM9RM · WN7T1GM9RM
NIST Chemistry Reference: 3 · 3-Aminosalicylic acid(570-23-0)
UNSPSC Code: 41116107 · 41116107
NACRES: 24 · NA.24
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
Hazard Note: Irritant
HS Code: 29225090 · 29225090
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H315 (97.9%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (97.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (95.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 48 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (97.9%)；Eye Irrit. 2 (97.9%)；STOT SE 3 (95.8%)

Safety data

F: 10
PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
hs_code: 29225090
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
hazard_note: Irritant
safety_code: 26-36-37/39
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

Uses3-Aminosalicylic acid acts as an oxygen, nitrogen donor ligand and forms complexes with silver.

Uses3-Aminosalicylic acid is a building block that can be used to synthesize antimycin A3. It can also be used to synthesize 2-alkoxy-3-(arylaminomethylene)chroman-4-ones and 3-(aryliminomethyl)chromones by reacting with 3-formylchromones.

Upstream & downstream products

Downstream products

Benzoic acid, 2-[[1-amino-7-[[4-[[6-amino-5-[(3-carboxy-4-hydroxyphenyl)azo]-1-hydroxy-3-sulfo-2-naphthalenyl]azo]-2-methoxyphenyl]azo]-8-hydroxy-3,6-disulfo-2-naphthalenyl]azo]-5-[[6-amino-5-[(3-carboxy-4-hydroxyphenyl)azo]-1-hydroxy-3-sul Benzoic acid, 2-hydroxy-3(or 5)-[[4-[(1-hydroxy-5-sulfo-2-naphthalenyl)azo]-1-naphthalenyl]azo]-, disodium salt SOLOCHROME BLACK F C.I. Mordant Black 50 C.I. Direct Orange 104 Benzoic acid, 3-[[4-[(1,8-dihydroxy-4-sulfo-2-naphthalenyl)azo]-1-naphthalenyl]azo]-2(or 6)-hydroxy-, disodium salt DIRECT BLACK 51 2-Methylbenzo[d]oxazole-7-carboxylic acid (2-Methylbenzoxazol-7-yl)methanol

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]

湖北万得化工有限公司15377098680 15377098680 · [email protected]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

Additional notes

DefinitionChEBI: 3-Aminosalicylic acid is a hydroxybenzoic acid.

Related reactions

25 records

New reaction record

HRID 196991As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 323067As reactantuspto-grants-2001_04

HRID 415138As reactantuspto-grants-2012_01

HRID 415139As reactantuspto-grants-2012_01

HRID 415140As reactantuspto-grants-2012_01

HRID 441297As reactantuspto-grants-1977_08

HRID 445874As reactantuspto-grants-2013_07

HRID 506247As reactantuspto-grants-2010_08

Compound notes

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Basic information