Acetamide, 2-cyano-N-phenyl-

HCID 69296CAS 621-03-4

기본 정보

표준 SMILES: N#CCC(=O)Nc1ccccc1
InChIKey: XCTQPMCULSZKLT-UHFFFAOYSA-N
분자식: C9H8N2O
평균 분자량: 160.17 g/mol
단동위원소 질량: 160.06366288

이름 및 식별자

우선 이름: Acetamide, 2-cyano-N-phenyl-
IUPAC: 2-cyano-N-phenylacetamide
영어명: 2-CYANOACETANILIDE
분자식: C9H8N2O
분자량: 160.17

이름 및 동의어

2-Cyano-N-phenylacetamide621-03-4Acetamide, 2-cyano-N-phenyl-N-Phenylcyanoacetamidealpha-CyanoacetanilideAcetanilide, 2-cyano-Cyanoacetic acid anilideNSC 6313EINECS 210-666-6DTXSID0060727RefChem:108800DTXCID4043222

이름 더 보기

AKOS B0297262-Cyanacetanilid2-Cyanoacetanilide,98%2-Cyanoacetanilide >O-ACETAMIDOBENZONITRILEO-ACETAMINOBENZONITRILEN-Phenyl-2-cyanoacetamide

XCTQPMCULSZKLT-UHFFFAOYSA-N2-Cyanoacetanilide2-cyano-N-phenyl-acetamideMFCD00019840cyanoacetanilideNSC-6313NSC63132-cyano-acetanilide

데이터베이스 식별자

CAS: 621-03-4
PubChem CID: 69296
DTXSID: DTXSID0060727
ChEMBL: CHEMBL3334609
UNII: 7EXD3TBU3Z
EC Number: 210-666-6
Nikkaji: J95.783F

물성

구조 계산 물성

XLogP: 1.6
극성 표면적: 52.9 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 12
형식 전하: 0
복잡도: 198

물리화학적 성질

녹는점: 198 · 198-202 °C
끓는 점: 286.07 °C · 286.07°C (rough estimate)
밀도: 1.1846 · 1.1846 (rough estimate)
굴절률: 1.557 · 1.5570 (estimate)
저장 조건: Sealed in dry,Room Temperature
물리적 상태: powder to crystal
산도 계수 (pKa): -1.03 · -1.03±0.10(Predicted)
색상: 흰색에서 밝은 노란색
EPA: 2 · Acetamide, 2-cyano-N-phenyl- (621-03-4)

화학적 성질

yellowish crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory.；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.