1-메틸피롤-2-탄소염

1-Methyl-1H-pyrrole-2-carbonyl chloride

HCID 2795092

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 26214-68-6
표준 SMILES: Cn1cccc1C(=O)Cl
InChIKey: JOYDZQJINHJNPM-UHFFFAOYSA-N
분자식: C6H6ClNO
평균 분자량: 143.57 g/mol
단동위원소 질량: 143.01379149

이름 및 식별자

우선 이름: 1-Methyl-1H-pyrrole-2-carbonyl chloride
IUPAC: 1-methylpyrrole-2-carbonyl chloride
현지명: 1-메틸피롤-2-탄소염
영어명: 1-Methylpyrrole-2-carbonyl chloride
분자식: C6H6ClNO
분자량: 143.57

이름 및 동의어

1-methyl-1H-pyrrole-2-carbonyl chlorideRefChem:433921640-804-426214-68-61-methylpyrrole-2-carbonyl chloride1-methylpyrrole-2-carbonylchlorideMFCD020940211H-Pyrrole-2-carbonyl chloride, 1-methyl-1-Methyl-1H-pyrrole-2-carboxylic acid chloride1-methyl-2-pyrroyl chlorideN-methyl-2-pyrroloyl chlorideSCHEMBL194181

이름 더 보기

1-메틸피롤-2-탄소염BUTTPARK 52\04-432-(Chlorocarbonyl)-1-methyl-1H-pyrrole1-Methylpyrrole-2-carbonyl chloride ,97%1-Methyl-1H-pyrrole-2-carbonylchloride97%1-Methyl-1H-pyrrole-2-carbonyl chloride 97%

N-methylpyrrolecarbonyl chlorideN-methylpyrrole carbonyl chlorideDTXSID40383541JOYDZQJINHJNPM-UHFFFAOYSA-N1-methylpyrrole-2-carboyl chlorideSBB086304AKOS0062301871-methylpyrrol-2-carboxylic acid chloride

데이터베이스 식별자

CAS: 26214-68-6
PubChem CID: 2795092
DTXSID: DTXSID40383541
EC Number: 640-804-4
Nikkaji: J1.490.554E

물성

구조 계산 물성

XLogP: 1.5
극성 표면적: 22 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 1
무거운 원자 수: 9
형식 전하: 0
복잡도: 126

물리화학적 성질

끓는 점: 78 °C · 78 °C
밀도: 1.22 · 1.22±0.1 g/cm3(Predicted)
굴절률: 1.57 · 1.5700
인화점: 72 · 72-74°C/10mm
산도 계수 (pKa): -8.74 · -8.74±0.70(Predicted)
물리적 상태: 액체
색상: 맑은 연한 노란색
수용성: 물과 반응합니다.
BRN: 472022 · 472022
InChI: 1S/C6H6ClNO/c1-8-4-2-3-5(8)6(7)9/h2-4H,1H3
InChIKey: JOYDZQJINHJNPM-UHFFFAOYSA-N
SMILES: ClC(C1=CC=CN1C)=O

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

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

Aggregated GHS information provided per 6 reports by companies from 2 notifications to the ECHA C&L Inventory.

유해성 정보

Hazard Classes and CategoriesSkin Corr. 1B (100%)

안전 데이터

wgk: WGK 3
ridadr: 3265
HS 번호: 2934999090
risk_code: 36/37/38-34-29-14
hazard_code: C
safety_code: 26-36/37/39-8-45-30-23
포장분류: II
위험 등급: 8
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 1건

용도It is applied in the preparation of 5-(Pyrrolylcarbonyl)- and 5-(Imidazolylcarbonyl)pyrimidines and use also in the novel fluorescent, minor groove and sequence specific recognition element: design, synthesis, and DNA binding properties of p-Anisylbenzimidazole-imidazole/pyrrole-containing polyamides.