1-oxo-2,3-dihydro-1H-indene-5-carbonitrile

HCID 312896CAS 25724-79-2

기본 정보

표준 SMILES: N#Cc1ccc2c(c1)CCC2=O
InChIKey: CAJDYMAFIOUARK-UHFFFAOYSA-N
분자식: C10H7NO
평균 분자량: 157.17 g/mol
단동위원소 질량: 157.05276385

이름 및 식별자

우선 이름: 1-oxo-2,3-dihydro-1H-indene-5-carbonitrile
IUPAC: 1-oxo-2,3-dihydroindene-5-carbonitrile
영어명: 1-Oxo-2,3-dihydro-1H-indene-5-carbonitrile
분자식: C10H7NO
분자량: 157.17

이름 및 동의어

1-OXO-2,3-DIHYDRO-1H-INDENE-5-CARBONITRILERefChem:435322847-003-025724-79-22,3-Dihydro-1-oxo-1H-indene-5-carbonitrile5-Cyano-1-indanone1-oxo-2,3-dihydroindene-5-carbonitrile1-OXOINDANE-5-CARBONITRILEMFCD082346851-Oxoindan-5-carbonitrile1H-INDENE-5-CARBONITRILE, 2,3-DIHYDRO-1-OXO-NSC225101

이름 더 보기

NSC 2251015-Cyano-1-Indenone5-Isocyano-2,3-dihydroinden-1-one23. 1-(3-amino-4-Pyridine)ethanol-1-OXO-2,3-DIHYDRO-1H-INDENE-5-CARBONITRIL

1-oxo-indan-5-carbonitrileSCHEMBL1031985SCHEMBL29741348DTXSID80310311CAJDYMAFIOUARK-UHFFFAOYSA-NAKOS006284496CS-W023175FS-2960

데이터베이스 식별자

CAS: 25724-79-2
PubChem CID: 312896
DTXSID: DTXSID80310311
EC Number: 847-003-0
Nikkaji: J2.222.908G

물성

구조 계산 물성

XLogP: 1.4
극성 표면적: 40.9 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 0
무거운 원자 수: 12
형식 전하: 0
복잡도: 250

물리화학적 성질

녹는점: 128 · 128-130 °C
끓는 점: 325.6 · 325.6±31.0 °C(Predicted)
밀도: 1.23 · 1.23±0.1 g/cm3(Predicted)
저장 조건: Sealed in dry,Room Temperature
InChI: InChI=1S/C10H7NO/c11-6-7-1-3-9-8(5-7)2-4-10(9)12/h1,3,5H,2,4H2
InChIKey: CAJDYMAFIOUARK-UHFFFAOYSA-N
SMILES: C1(=O)C2=C(C=C(C#N)C=C2)CC1

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.