CAS 1458-18-0 Methyl 3-amino-5,6-dichloropyrazine-2-carboxylate (HCID 73828)

Names & identifiers

Preferred name: Methyl 3-amino-5,6-dichloropyrazine-2-carboxylate
IUPAC: methyl 3-amino-5,6-dichloropyrazine-2-carboxylate
English name: Methyl 3-amino-5,6-dichloro-2-pyrazinecarboxylate
Molecular formula: C6H5Cl2N3O2
Molecular weight: 222.03

Names & synonyms

Methyl 3-amino-5,6-dichloropyrazine-2-carboxylate1458-18-0DTXSID8057645Pyrazinecarboxylic acid, 3-amino-5,6-dichloro-, methyl ester2-Pyrazinecarboxylic acid, 3-amino-5,6-dichloro-, methyl esterEINECS 215-947-7DTXCID9031434EC 215-947-7RefChem:815210215-947-7Methyl 3-amino-5,6-dichloro-2-pyrazinecarboxylateMFCD00010431

Show more names

SKL299TIMTEC-BB SBB003342METHYL 3-AMINO-5 6-DICHLORO-2-PYRAZINE-&methyl 6-amino-2,3-dichloropyrazine-5-carboxylateMethyl 3-amino-5,6-dichloro-2-pyrazinecarboxylate,98%Methyl 3-aMino-5,6-dichloro-2-pyrazinecarboxylate, 98% 5GR

3-Amino-5,6-dichloro-2-pyrazinecarboxylic Acid Methyl EsterTox21_113824Methyl 3-amino-5,6-dichloropyrazinoateSY101527EN300-116878methyl 3-amino-5,6-dichloro-2-pyrazine-carboxylatmethyl 3-amino-5,6-dichloro-2-pyrazine carboxylate3-Amino-5,6-dichloro-pyrazine-2-carboxylic acid methyl ester

Database identifiers

CAS: 1458-18-0
PubChem CID: 73828
DTXSID: DTXSID8057645
ChEMBL: CHEMBL3184300
UNII: 3M7GFD6DF2
EC Number: 215-947-7
Nikkaji: J298.644B

Properties

Computed structural properties

XLogP: 2.1
Topological polar surface area: 78.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 2
Heavy atoms: 13
Formal charge: 0
Complexity: 204

Physicochemical properties

Melting point: 227 · 227-230 °C
Boiling point: 357.3 · 357.3±37.0 °C(Predicted)
Density: 1.586 · 1.586
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
solubility: Chloroform (Slightly), Dichloromethane (Slightly), DMSO (Slightly)
form: Powder
pka: -2.74 · -2.74±0.10(Predicted)
color: Light brown to red-brown
Major Application: diagnostic assay manufacturinghematologyhistology
InChI: InChI=1S/C6H5Cl2N3O2/c1-13-6(12)2-5(9)11-4(8)3(7)10-2/h1H3,(H2,9,11)
InChIKey: USYMCUGEGUFUBI-UHFFFAOYSA-N
SMILES: C1(C(OC)=O)=NC(Cl)=C(Cl)N=C1N
LogP: 1.9 · 1.9-2.2 at 35℃
CAS DataBase Reference: 1458 · 1458-18-0(CAS DataBase Reference)
UNSPSC Code: 12171500 · 12171500
NACRES: 47 · NA.47
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H332-H335
Precautionary statements: 261 · P261-P264-P271-P302+P352-P304+P340+P312-P305+P351+P338
target organs: Respiratory system
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xn,Xi
Risk Statements: 36 · 36/37/38-20/22-20
Safety Statements: 36 · 36/37/39-26-22-45
WGK Germany: 3 · 3
Hazard Note: Harmful
HS Code: 29339980 · 29339980
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 4 InhalationEye · Acute Tox. 4 InhalationEye Irrit. 2Skin Irrit. 2STOT SE 3
REACH Registrations: Active

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H315 (91.8%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (91.8%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (81.6%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (91.8%): 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, P317, 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 6 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

Regulatory Information · 2 items

Status: Active Update: 10-04-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/22883

Pyrazinecarboxylic acid, 3-amino-5,6-dichloro-, methyl ester: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Irrit. 2 (91.8%)；Eye Irrit. 2 (91.8%)；Acute Tox. 4 (81.6%)；STOT SE 3 (91.8%)

Regulatory information

Regulatory Information · 2 items

Status: Active Update: 10-04-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/22883

Pyrazinecarboxylic acid, 3-amino-5,6-dichloro-, methyl ester: Does not have an individual approval but may be used under an appropriate group standard

Safety data

PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
hs_code: 29339980
risk_code: 36/37/38-20/22-20
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xn,Xi
hazard_note: Harmful
safety_code: 36/37/39-26-22-45
Storage Class: 11 - Combustible Solids
target organs: Respiratory system
Hazard statements: H315-H319-H332-H335
REACH Registrations: Active
Hazard Classifications: Acute Tox. 4 InhalationEye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P264-P271-P302+P352-P304+P340+P312-P305+P351+P338

Chemistry & industry

Applications · 1 item

Uses3-Amino-5,6-dichloro-2-pyrazinecarboxylic Acid Methyl Ester, is used for the preparation of 2-Amidino analogs of glycine-Amiloride (A578700) conjugates, acting as inhibitors of the protease urokinase plasminogen activator (uPA), a promising anticancer targets. Dyes and metabolites.