5-(하이드록시메틸)FURAN-2-탄소니트릴

5-(Hydroxymethyl)furan-2-carbonitrile

HCID 3021406CAS 89149-70-2

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: N#Cc1ccc(CO)o1
InChIKey: XAOLIZQQNMUXQB-UHFFFAOYSA-N
분자식: C6H5NO2
평균 분자량: 123.11 g/mol
단동위원소 질량: 123.0320284

이름 및 식별자

우선 이름: 5-(Hydroxymethyl)furan-2-carbonitrile
IUPAC: 5-(hydroxymethyl)furan-2-carbonitrile
현지명: 5-(하이드록시메틸)FURAN-2-탄소니트릴
영어명: 5-(Hydroxymethyl)furan-2-carbonitrile
분자식: C6H5NO2
분자량: 123.11

이름 및 동의어

5-(Hydroxymethyl)furan-2-carbonitrile89149-70-2EINECS 289-476-05-(HYDROXYMETHYL)-2-FURANCARBONITRILEDTXSID30237549RefChem:531304DTXCID30160040289-476-05-hydroxymethyl-2-furancarbonitrile2-Furancarbonitrile,5-(hydroxymethyl)-5-hydroxymethyl-furan-2-carbonitrileFE3Y5F8RJW

이름 더 보기

5-(하이드록시메틸)FURAN-2-탄소니트릴

5-Hydroxymethyl-2-cyanofuranSCHEMBL2359472PDA149705-Hydoxymethylfuran-2-carbononitrileAKOS006285518AB440382-Furancarbonitrile, 5-(hydroxymethyl)-DB-078308

데이터베이스 식별자

CAS: 89149-70-2
PubChem CID: 3021406
DTXSID: DTXSID30237549
UNII: FE3Y5F8RJW
EC Number: 289-476-0
Nikkaji: J348.574I

물성

구조 계산 물성

XLogP: 0.2
극성 표면적: 57.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 9
형식 전하: 0
복잡도: 137

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.