CAS 7579-20-6 3-Aminoisonicotinic acid (HCID 459531)

Names & identifiers

Preferred name: 3-Aminoisonicotinic acid
IUPAC: 3-aminopyridine-4-carboxylic acid
English name: 3-Aminoisonicotinic acid
Molecular formula: C6H6N2O2
Molecular weight: 138.12

Names & synonyms

3-Aminoisonicotinic acid7579-20-64-Pyridinecarboxylic acid, 3-amino-RefChem:92975676-875-3FYEQKMAVRYRMBL-UHFFFAOYSA-N3-aminopyridine-4-carboxylic acid7529-20-63-Amino-4-pyridinecarboxylic acid3-amino isonicotinic acid3-Amino-isonicotinic acidMFCD00137840

Show more names

3-Amino-4-picolinBUTTPARK 43\57-53TIMTEC-BB SBB0021303-AminoisonicotinicAcid>3-AMino-4-pyridinecarboxylic3-Aminoisonicotinic acid ,97%3-Aminopyridin-4-carboxylic acid

3-Amino-4-carboxypyridineCHEMBL13836713-Amino-4-Pyridine Carboxylic Acid3-Aminoisonicotinicacid3-Amino-4-pyridinecarboxylic Acid; 3-Amino-4-picoline;4SV3-aminoisonicotinoic acid3-arninoisonicotinic acid

Database identifiers

CAS: 7579-20-6
PubChem CID: 459531
ChEMBL: CHEMBL1383671
EC Number: 676-875-3
Nikkaji: J81.421K

Properties

Computed structural properties

XLogP: 0.2
Topological polar surface area: 76.2 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 1
Heavy atoms: 10
Formal charge: 0
Complexity: 138

Physicochemical properties

Melting point: 300 °C · 300°C
Boiling point: 497.1 · 497.1±30.0 °C(Predicted)
Density: 1.417 · 1.417±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
solubility: Water
form: Solid
pka: 2.69 · 2.69±0.10(Predicted)
color: Yellow to Brown
InChI: 1S/C6H6N2O2/c7-5-3-8-2-1-4(5)6(9)10/h1-3H,7H2,(H,9,10)
InChIKey: FYEQKMAVRYRMBL-UHFFFAOYSA-N
SMILES: Nc1cnccc1C(O)=O
CAS DataBase Reference: 7579 · 7579-20-6(CAS DataBase Reference)
NIST Chemistry Reference: 4 · 4-Pyridinecarboxylic acid, 3-amino-(7579-20-6)
UNSPSC Code: 12352100 · 12352100
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
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-37/39
WGK Germany: 3 · 3
HazardClass: IRRITANT
HS Code: 29333990 · 29333990
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 49 reports by companies from 7 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

wgk: 3
hs_code: 29333990
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-37/39
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

Uses3-Aminoisonicotinic acid is a biochemical reagent that can be used as a biological material or organic compound for life science related research.

Upstream & downstream products

Upstream raw materials

Downstream products

3-Amino-2-chloro-isonicotinamide 3-Amino-2-chloro-isonicotinic acid methyl ester 3-Amino-4-pyridinecarboxamide 4-Chloro-2-methyl-1,7-naphthyridine 3-amino-N-methylisonicotinamide

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]

衢州润东化工有限公司0570-8789886 18892685668 · [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]

Related reactions

50 records

New reaction record

HRID 47458As reactantuspto-grants-2004_03

HRID 50819As reactantuspto-grants-2004_03

HRID 155279As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 185788As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 207505As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 227584As reactantuspto-grants-2009_07

HRID 290892As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 295175As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

Compound notes

Loading…

Basic information