메틸3-아미노-5,6-디클로로-2-피라진카르복실레이트

Methyl 3-amino-5,6-dichloropyrazine-2-carboxylate

HCID 73828CAS 1458-18-0

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: COC(=O)c1nc(Cl)c(Cl)nc1N
InChIKey: USYMCUGEGUFUBI-UHFFFAOYSA-N
분자식: C6H5Cl2N3O2
평균 분자량: 222.03 g/mol
단동위원소 질량: 220.9758818

이름 및 식별자

우선 이름: Methyl 3-amino-5,6-dichloropyrazine-2-carboxylate
IUPAC: methyl 3-amino-5,6-dichloropyrazine-2-carboxylate
현지명: 메틸3-아미노-5,6-디클로로-2-피라진카르복실레이트
영어명: Methyl 3-amino-5,6-dichloro-2-pyrazinecarboxylate
분자식: C6H5Cl2N3O2
분자량: 222.03

이름 및 동의어

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

이름 더 보기

메틸3-아미노-5,6-디클로로-2-피라진카르복실레이트SKL299TIMTEC-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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: 2.1
극성 표면적: 78.1 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 5
회전 가능 결합 수: 2
무거운 원자 수: 13
형식 전하: 0
복잡도: 204

물리화학적 성질

녹는점: 227 · 227-230 °C
끓는 점: 357.3 · 357.3±37.0 °C(Predicted)
밀도: 1.586 · 1.586
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
용해도: 클로로포름(약간 용해됨), 디클로로메탄(약간 용해됨), DMSO(약간 용해됨)
물리적 상태: 가루
산도 계수 (pKa): -2.74 · -2.74±0.10(Predicted)
색상: 연한 갈색~적갈색
주요 응용: 진단 검사 제조혈액학조직학
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℃

화학적 성질

light brown to red-brown powder

안전 및 규제

GHS 분류

GHS Classification · 5건

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.

유해성 정보

Regulatory Information · 2건

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%)

규제 정보

Regulatory Information · 2건

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

안전 데이터

wgk: 3
HS 번호: 29339980
risk_code: 36/37/38-20/22-20
hazard_code: Xn,Xi
safety_code: 36/37/39-26-22-45
위험 참고 사항: Harmful
Hazard Classifications: Acute Tox. 4 InhalationEye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids