4-아이오도피롤-2-카르복실산메틸에스테르

methyl 4-iodo-1H-pyrrole-2-carboxylate

HCID 11673249CAS 40740-41-8

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: COC(=O)c1cc(I)c[nH]1
InChIKey: KRNGDJYQOKCQCD-UHFFFAOYSA-N
분자식: C6H6INO2
평균 분자량: 251.02 g/mol
단동위원소 질량: 250.94433

이름 및 식별자

우선 이름: methyl 4-iodo-1H-pyrrole-2-carboxylate
IUPAC: methyl 4-iodo-1H-pyrrole-2-carboxylate
현지명: 4-아이오도피롤-2-카르복실산메틸에스테르
영어명: 4-Iodopyrrole-2-carboxylic acid methyl ester
분자식: C6H6INO2
분자량: 251.02

이름 및 동의어

40740-41-8Methyl 4-iodo-1H-pyrrole-2-carboxylate1H-Pyrrole-2-carboxylic acid, 4-iodo-, methyl esterDTXSID80470404RefChem:816481DTXCID10421222858-202-7Methyl 4-Iodopyrrole-2-carboxylate4-IODOPYRROLE-2-CARBOXYLIC ACID METHYL ESTERMFCD07368824methyl 4-iodo-2-pyrrolecarboxylateMethyl4-Iodopyrrole-2-carboxylate

이름 더 보기

4-아이오도피롤-2-카르복실산메틸에스테르Methyl 4-iodopyrrole-2-carboxylate, 97%methyl 4-iodo-1H-pyrrole-2-carboxylate - [M86707]

4-Iodo-1H-pyrrole-2-carboxylic acid methyl esterSCHEMBL3704774-iodo-2-methoxycarbonylpyrroleKRNGDJYQOKCQCD-UHFFFAOYSA-NQBA74041AKOS005071920BC-0819SB13923

데이터베이스 식별자

CAS: 40740-41-8
PubChem CID: 11673249
DTXSID: DTXSID80470404
EC Number: 858-202-7
Nikkaji: J2.351.603I

물성

구조 계산 물성

XLogP: 1.5
극성 표면적: 42.1 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 10
형식 전하: 0
복잡도: 140

물리화학적 성질

녹는점: 77 · 77-78°
끓는 점: 334.3 · 334.3±27.0 °C(Predicted)
밀도: 1.965 · 1.965±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C(protect from light)
산도 계수 (pKa): 13.66 · 13.66±0.50(Predicted)
물리적 상태: 고체
색상: 흰색에서 갈색으로

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): 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, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.