2-(Trichloroacetyl)pyrrole (HCID 321487)

이름 및 식별자

우선 이름: 2-(Trichloroacetyl)pyrrole
IUPAC: 2,2,2-trichloro-1-(1H-pyrrol-2-yl)ethanone
현지명: 2-(트리클로로아세틸)피롤
영어명: 2-(TRICHLOROACETYL)PYRROLE
분자식: C6H4Cl3NO
분자량: 212.46

이름 및 동의어

2-(Trichloroacetyl)pyrroleDTXSID70313578RefChem:462443DTXCID60264702671-031-035302-72-82,2,2-Trichloro-1-(1H-pyrrol-2-yl)ethanone2,2,2-Trichloro-1-(1H-pyrrol-2-yl)ethan-1-oneMFCD00128757Ethanone, 2,2,2-trichloro-1-(1H-pyrrol-2-yl)-2-(trichloroacetyl)-1h-pyrrole2-trichloroacetyl-1H-pyrrole

이름 더 보기

2-(트리클로로아세틸)피롤NSC 272669LABOTEST-BB LT00452244trichloroacetyl)pyrrole2-(Trichloroacetyl)-pyrrol2-(Trichloroacetyl)-1H-pyrr2-PYRROLYL TRICHLOROMETHYL KETONE

2,2,2-trichloro-1-(1h-pyrrol-2-yl)-ethanone2,2,2-trichloro-1-pyrrol-2-ylethan-1-one2,2,2-Trichloro-1-(1H-pyrrol-2-yl)ethanone; 2,2,2-Trichloro-1-(1H-pyrrol-2-yl)ethanone; 2-(Trichloroacetyl)-1H-pyrrole; NSC 272669; Pyrrol-2-yl Trichloromethyl Ketone;NSC272669trichloroacetyl pyrrole2-trichloracetyl pyrrole2-trichloroacetyl pyrrole2-Trichloroacetylpyrrolidine

데이터베이스 식별자

CAS: 35302-72-8
PubChem CID: 321487
DTXSID: DTXSID70313578
ChEMBL: CHEMBL4994876
EC Number: 671-031-0
Nikkaji: J705.927B

물성

구조 계산 물성

XLogP: 2.8
극성 표면적: 32.9 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 1
무거운 원자 수: 11
형식 전하: 0
복잡도: 166

물리화학적 성질

녹는점: 72 · 72-74 °C (lit.)
끓는 점: 285 ℃ · 285℃
밀도: 1.591 · 1.591
인화점: 126 ℃ · 126℃
저장 조건: 2 · 2-8°C
용해도: 클로로포름, 메탄올에 용해됨
물리적 상태: 가루
산도 계수 (pKa): 14.18 · 14.18±0.50(Predicted)
색상: 옅은 회색
InChI: 1S/C6H4Cl3NO/c7-6(8,9)5(11)4-2-1-3-10-4/h1-3,10H
InChIKey: BBFDGMDENAEMKF-UHFFFAOYSA-N
SMILES: ClC(Cl)(Cl)C(=O)c1ccc[nH]1

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H314 (14.3%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H315 (85.7%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (85.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (85.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 49 reports by companies from 7 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

Hazard Classes and CategoriesSkin Corr. 1C (14.3%)；Skin Irrit. 2 (85.7%)；Eye Irrit. 2 (85.7%)；STOT SE 3 (85.7%)

안전 데이터

wgk: 3
ridadr: UN 1759 8/PG III
HS 번호: 29339900
risk_code: 36/37/38-36/37//38
hazard_code: Xi
safety_code: 26-36
포장분류: III
위험 등급: IRRITANT
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도2-(Trichloroacetyl)pyrrole, is a building block used for the synthesis of more complex pharmaceutical compounds, such as Oroidin, Hymenidin and Clathrodin.

일반 설명2-(Trichloroacetyl)pyrrole is a 2-substituted pyrrole. It undergoes acylation to afford 4-acyl derivatives (4-formyl to 4-hexanoyl).