N-Benzylformamide

HCID 80654

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 6343-54-0
표준 SMILES: O=CNCc1ccccc1
InChIKey: IIBOGKHTXBPGEI-UHFFFAOYSA-N
분자식: C8H9NO
평균 분자량: 135.16 g/mol
단동위원소 질량: 135.06841391

이름 및 식별자

우선 이름: N-Benzylformamide
IUPAC: N-benzylformamide
영어명: N-BENZYLFORMAMIDE
분자식: C8H9NO
분자량: 135.16

이름 및 동의어

N-Benzylformamide6343-54-0benzylformamideNSC-16247L363D92ELKCHEBI:41117DTXSID40212842RefChem:162958DTXCID70135333228-739-6Benzyl formamideN-Formylbenzylamine

이름 더 보기

N-BenzylformamidVITAS-BB TBB000670Formamide,N-benzyl-N-Benzylformamide>N-Benzylformamide,99%

Formamide, N-(phenylmethyl)-N-(phenylmethyl)formamideN-benzyl-formamideMFCD00003281UNII-L363D92ELKCHEMBL46293NSC16247DB02481

데이터베이스 식별자

CAS: 6343-54-0
PubChem CID: 80654
DTXSID: DTXSID40212842
ChEMBL: CHEMBL46293
ChEBI: CHEBI:41117
UNII: L363D92ELK
EC Number: 228-739-6
Nikkaji: J206.948B

물성

구조 계산 물성

XLogP: 1
극성 표면적: 29.1 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 2
무거운 원자 수: 10
형식 전하: 0
복잡도: 97

실험 및 물리화학적 성질

Kovats Retention Index1402

물리화학적 성질

녹는점: 60 · 60-61 °C(lit.)
끓는 점: 248.86 °C · 248.86°C (rough estimate)
밀도: 1.1031 · 1.1031 (rough estimate)
굴절률: 1.5635 · 1.5635 (rough estimate)
저장 조건: -20 °C, · -20°C, Inert atmosphere
용해도: 클로로포름(약간 용해됨), DMSO(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 고체
산도 계수 (pKa): 16.35 · 16.35±0.23(Predicted)
색상: 흰색에서 연한 노란색

화학적 성질

WHITE TO OFF-WHITE CRYSTALLINE POWDER

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (97.5%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H334 (97.5%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory]；H335 (97.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P233, P260, P261, P264, P264+P265, P270, P271, P280, P284, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P342+P316, P362+P364, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 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.