2-(6-Methoxynaphthalen-2-yl)propanenitrile

HCID 607344

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 86603-94-3
표준 SMILES: COc1ccc2cc(C(C)C#N)ccc2c1
InChIKey: QAILMFURFUYAJA-UHFFFAOYSA-N
분자식: C14H13NO
평균 분자량: 211.26 g/mol
단동위원소 질량: 211.09971404

이름 및 식별자

우선 이름: 2-(6-Methoxynaphthalen-2-yl)propanenitrile
IUPAC: 2-(6-methoxynaphthalen-2-yl)propanenitrile
영어명: 2-(6-methoxynaphthalen-2-yl)propanenitrile
분자식: C14H13NO
분자량: 211.25912

이름 및 동의어

2-(6-methoxynaphthalen-2-yl)propanenitrile86603-94-3RefChem:459240822-826-82-(6-Methoxy-2-naphthyl)propanenitrileMFCD020683772-(6-Methoxy-2-naphthyl)propionitrile2-Naphthaleneacetonitrile, 6-methoxy-a-methyl- (9CI, ACI); 6-Methoxy-a-methyl-2-naphthaleneacetonitrile (ACI); (+/-)-Naproxen nitrile; 2-(6-Methoxy-2-naphthyl)propionitrile; a-Methyl-6-methoxy-2-NaphthaleneacetonitrilePropanenitrile, 2-(6-methoxy-2-naphthyl)-SCHEMBL2912071SCHEMBL29819475LDA60394

이름 더 보기

(6-methoxy-2-naphthyl)propanonitrile(6-methoxy-2-naphthyl)-propanonitrileAKOS008129049SY1936562-(6-Methoxy-2-naphthyl)propanenitrile #CS-02650722-(6-methoxy-naphthalen-2-yl)-propionitrileEN300-96292

데이터베이스 식별자

CAS: 86603-94-3
PubChem CID: 607344
EC Number: 822-826-8
Nikkaji: J637.436K

물성

구조 계산 물성

XLogP: 3.5
극성 표면적: 33 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 16
형식 전하: 0
복잡도: 280

물리화학적 성질

용해도: Chloroform(Slightly),DMSO(Slightly),Methanol(Slightly)
물리적 상태: 고체
색상: 옅은 노란색에서 밝은 베이지색까지

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.