2-피롤-1-일아세트산

1H-Pyrrol-1-ylacetic acid

HCID 242027

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 19167-98-7
표준 SMILES: O=C(O)Cn1cccc1
InChIKey: CHRZYRWWZQCZBV-UHFFFAOYSA-N
분자식: C6H7NO2
평균 분자량: 125.13 g/mol
단동위원소 질량: 125.04767847

이름 및 식별자

우선 이름: 1H-Pyrrol-1-ylacetic acid
IUPAC: 2-pyrrol-1-ylacetic acid
현지명: 2-피롤-1-일아세트산
영어명: 2-pyrrol-1-ylacetic acid
분자식: C6H7NO2
분자량: 125.13

이름 및 동의어

1H-pyrrol-1-ylacetic acidRefChem:439158835-836-219167-98-71h-pyrrole-1-acetic acid2-(1H-pyrrol-1-yl)acetic acid2-pyrrol-1-ylacetic acid2-(1-pyrrolyl)acetic acidMFCD00955795Pyrrole-1-acetic acid2-pyrrol-1-ylethanoic acidNSC-50134

이름 더 보기

2-피롤-1-일아세트산1H-pyrrol-1-ylacetic acid(SALTDATA: FREE)

Pyrrol-1-yl-acetic acidN-azolylacetic acidNSC501342-pyrrolylacetic acid(1-Pyrryl)acetic Acid(1-pyrryl) acetic acidPYRROLE-1-ACETICACIDSCHEMBL463115

데이터베이스 식별자

CAS: 19167-98-7
PubChem CID: 242027
DTXSID: DTXSID50287288
UNII: QV5TE365X8
EC Number: 835-836-2
Nikkaji: J2.333.124A

물성

구조 계산 물성

XLogP: 0.7
극성 표면적: 42.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 9
형식 전하: 0
복잡도: 108

물리화학적 성질

녹는점: 91.5 °C · 91.5 °C
끓는 점: 271.4 · 271.4±23.0 °C(Predicted)
밀도: 1.18 · 1.18±0.1 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
산도 계수 (pKa): 2.74 · 2.74±0.10(Predicted)

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)

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.；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.