CAS 6298-19-7 2-Chloro-3-pyridylamine (HCID 80528)

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Basic information

CAS: 6298-19-7
Standard SMILES: Nc1cccnc1Cl
InChIKey: MEQBJJUWDCYIAB-UHFFFAOYSA-N
Molecular formula: C5H5ClN2
Average molar mass: 128.56 g/mol
Monoisotopic mass: 128.01412584

Names & identifiers

Preferred name: 2-Chloro-3-pyridylamine
IUPAC: 2-chloropyridin-3-amine
English name: 2-Chloro-3-pyridinamine
Molecular formula: C5H5ClN2
Molecular weight: 128.56

Names & synonyms

3-Amino-2-chloropyridine6298-19-72-Chloro-3-aminopyridine3-Pyridinamine, 2-chloro-2-Chloro-3-pyridylamine2-chloropyridin-3-ylamineWFH374WQE6NSC-45407EINECS 228-572-92-CHLORO-3-PYRIDINEAMINEDTXSID40212185NSC 45407

Show more names

AKOS MSC-0729oro-3-pyridyLTIMTEC-BB SBB0042332-Chloro-3-pyridinamOTAVA-BB BB7110951374

RefChem:468747DTXCID40134676228-572-92-chloropyridin-3-amine2-Chloro-3-pyridinamineMFCD000062382-chloro-pyridin-3-ylaminePyridine, 3-amino-2-chloro-

Database identifiers

CAS: 6298-19-7
PubChem CID: 80528
DTXSID: DTXSID40212185
ChEMBL: CHEMBL4639717
UNII: WFH374WQE6
EC Number: 228-572-9
Nikkaji: J81.181E

Properties

Computed structural properties

XLogP: 0.8
Topological polar surface area: 38.9 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 8
Formal charge: 0
Complexity: 76.8

Experimental & physicochemical properties

SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy

Physicochemical properties

Melting point: 76 · 76-78 °C (lit.)
Boiling point: 130 · 130-134 °C (12.7517 mmHg)
Density: 130 · 130
refractive index: 1.511 · 1.5110 (estimate)
Flash point: 185 °C · 185 °C
storage temp.: 2 · 2-8°C
solubility: 30 g/l · 30g/l
pka: 2.42 · 2.42±0.10(Predicted)
form: Crystalline Powder, Crystals, and/or Chunks
color: Off-white to yellow to pink
PH: 7 · 7 (30g/l, H2O, 20℃)
Water Solubility: Soluble in methanol and water. (30 g/L).
BRN: 109814 · 109814

Safety & regulation

GHS classification

GHS Classification · 5 items

This chemical does not meet GHS hazard criteria for 13.5% (7 of 52) of reports.

Warning

H315 (86.5%): 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 52 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information · 2 items

Status: Active Update: 16-12-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/30341

3-Pyridinamine, 2-chloro-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Irrit. 2 (86.5%)

Safety data

PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: WGK 3
ridadr: UN2811
hs_code: 29333999
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-36
hazard_class: IRRITANT
Storage Class: 11 - Combustible Solids
Hazard statements: H315-H319-H312-H335

Chemistry & industry

Applications

UsesIt is an intermediate of medicine and agricultural chemicals. It is involved in the Suzuki-Miyaura cross-coupling reactions of heteroaryl compounds.