N-메틸피롤-2-아세토니트릴

1H-Pyrrole-2-acetonitrile, 1-methyl-

HCID 90501CAS 24437-41-0

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Cn1cccc1CC#N
InChIKey: ROSYAUHHRKAPHX-UHFFFAOYSA-N
분자식: C7H8N2
평균 분자량: 120.15 g/mol
단동위원소 질량: 120.06874826

이름 및 식별자

우선 이름: 1H-Pyrrole-2-acetonitrile, 1-methyl-
IUPAC: 2-(1-methylpyrrol-2-yl)acetonitrile
현지명: N-메틸피롤-2-아세토니트릴
영어명: N-Methylpyrrole-2-acetonitrile
분자식: C7H8N2
분자량: 120.15

이름 및 동의어

24437-41-01H-Pyrrole-2-acetonitrile, 1-methyl-1-Methyl-2-pyrroleacetonitrilePyrrole-2-acetonitrile, 1-methyl-N-Methylpyrrol-2-ylacetonitrileEINECS 246-248-5DTXSID2066989RefChem:439205DTXCID0037077246-248-52-(1-methyl-1H-pyrrol-2-yl)acetonitrileN-Methylpyrrole-2-acetonitrile

이름 더 보기

N-메틸피롤-2-아세토니트릴N-METHY-2-CYANOMETHYLPYRROLE1-methyl-1h-pyrrole-2-acetonitril(1-Methyl-2-pyrrolyl)acetonitrileN-METHYLPYRROLE-ALPHA-ACETONITRILE1-Methyl-2-pyrroleacetonitrile,95%2-(1-methyl-2-pyrrolyl)acetonitrile

2-(1-methylpyrrol-2-yl)acetonitrile1-Methylpyrrole-2-acetonitrile(1-Methyl-1H-pyrrol-2-yl)acetonitrileMFCD000030911-Methyl-1H-pyrrole-2-acetonitrile1H-Pyrrole-2-acetonitrile,1-methyl-8NKM27KEV3SCHEMBL549027

데이터베이스 식별자

CAS: 24437-41-0
PubChem CID: 90501
DTXSID: DTXSID2066989
UNII: 8NKM27KEV3
EC Number: 246-248-5
Nikkaji: J208.749I

물성

구조 계산 물성

XLogP: 0.4
극성 표면적: 28.7 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 1
무거운 원자 수: 9
형식 전하: 0
복잡도: 133

물리화학적 성질

녹는점: 28 · 28-29 °C
끓는 점: 90 · 90-92 °C(Press: 1 Torr)
밀도: 0.97 · 0.97±0.1 g/cm3(Predicted)
산도 계수 (pKa): -4.5 · -4.50±0.70(Predicted)
물리적 상태: solid
InChI: 1S/C7H8N2/c1-9-6-2-3-7(9)4-5-8/h2-3,6H,4H2,1H3
InChIKey: ROSYAUHHRKAPHX-UHFFFAOYSA-N
SMILES: CN1C=CC=C1CC#N
EPA: 1 H-Pyrrole-2-acetonitrile, · 1H-Pyrrole-2-acetonitrile, 1-methyl- (24437-41-0)

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)

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.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Acute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；Acute Tox. 4 (100%)；STOT SE 3 (100%)

안전 데이터

wgk: WGK 3
tsca: TSCA listed
risk_code: 25
hazard_code: T
safety_code: 45
Hazard Classifications: Acute Tox. 3 Oral
스토리지 클래스: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects