메틸-5-(브로모메틸)피라진-2-카르복실레이트

Methyl 5-(bromomethyl)pyrazine-2-carboxylate

HCID 21973569CAS 193966-70-0

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: COC(=O)c1cnc(CBr)cn1
InChIKey: OIGRHUBIDWZLHR-UHFFFAOYSA-N
분자식: C7H7BrN2O2
평균 분자량: 231.05 g/mol
단동위원소 질량: 229.96909

이름 및 식별자

우선 이름: Methyl 5-(bromomethyl)pyrazine-2-carboxylate
IUPAC: methyl 5-(bromomethyl)pyrazine-2-carboxylate
현지명: 메틸-5-(브로모메틸)피라진-2-카르복실레이트
영어명: Methyl-5-(bromomethyl)pyrazine-2-carboxylate
분자식: C7H7BrN2O2
분자량: 231.04668

이름 및 동의어

METHYL 5-(BROMOMETHYL)PYRAZINE-2-CARBOXYLATE193966-70-0DTXSID00620989RefChem:355935DTXCID80571743889-754-7MFCD16036651Methyl-5-(bromomethyl)pyrazine-2-carboxylateSCHEMBL480161Pyrazinecarboxylic acid, 5-(bromomethyl)-, methyl esterAMY12057AKOS015920372

이름 더 보기

메틸-5-(브로모메틸)피라진-2-카르복실레이트pyrazine-2-carboxylateMethyl 5-(bromomethyl)

SCHEMBL31390501CS-W019653DS-13618SY107685DB-125282F0782425-Bromomethyl-pyrazine-2-carboxylic acid methyl ester

데이터베이스 식별자

CAS: 193966-70-0
PubChem CID: 21973569
DTXSID: DTXSID00620989
EC Number: 889-754-7

물성

구조 계산 물성

XLogP: 0.4
극성 표면적: 52.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 3
무거운 원자 수: 12
형식 전하: 0
복잡도: 165

물리화학적 성질

저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
InChI: InChI=1S/C7H7BrN2O2/c1-12-7(11)6-4-9-5(2-8)3-10-6/h3-4H,2H2,1H3
InChIKey: OIGRHUBIDWZLHR-UHFFFAOYSA-N
SMILES: C1(C(OC)=O)=NC=C(CBr)N=C1

안전 및 규제

GHS 분류

GHS Classification · 6건

This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.

Danger

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]；H314 (50%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 1 of 2 reports by companies.；There is 1 notification provided by 1 of 2 reports by companies with hazard statement code(s).；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.