2-클로로-5-페닐-피라진

2-Chloro-5-phenylpyrazine

HCID 1236664CAS 25844-73-9

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Clc1cnc(-c2ccccc2)cn1
InChIKey: IKWXPYFPNVAWJY-UHFFFAOYSA-N
분자식: C10H7ClN2
평균 분자량: 190.63 g/mol
단동위원소 질량: 190.0297759

이름 및 식별자

우선 이름: 2-Chloro-5-phenylpyrazine
IUPAC: 2-chloro-5-phenylpyrazine
현지명: 2-클로로-5-페닐-피라진
영어명: 2-CHLORO-5-PHENYL-PYRAZINE
분자식: C10H7ClN2
분자량: 190.63

이름 및 동의어

2-chloro-5-phenylpyrazine25844-73-9DTXSID60361245RefChem:259009DTXCID80312294842-634-82-Chloro-5-phenyl-pyrazineMFCD032685855-chloro-2-phenylpyrazine2-chloro-5--phenylpyrazineSCHEMBL3633100SCHEMBL28477929

이름 더 보기

2-클로로-5-페닐-피라진C90108RMA02415Pyrazine, 2-chloro-5-phenyl-

SCHEMBL30495464IKWXPYFPNVAWJY-UHFFFAOYSA-NABA84473SBB091199AKOS0052559962-Chloro-5-phenylpyrazine, AldrichCPRAT31228MS-20135

데이터베이스 식별자

CAS: 25844-73-9
PubChem CID: 1236664
DTXSID: DTXSID60361245
EC Number: 842-634-8
Nikkaji: J1.175.396E

물성

구조 계산 물성

XLogP: 2.4
극성 표면적: 25.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 13
형식 전하: 0
복잡도: 157

물리화학적 성질

녹는점: 97 · 97-98 °C(Solv: hexane (110-54-3))
끓는 점: 296.8 · 296.8±35.0 °C(Predicted)
밀도: 1.245 · 1.245±0.06 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
산도 계수 (pKa): -1.78 · -1.78±0.10(Predicted)
물리적 상태: solid
InChI: 1S/C10H7ClN2/c11-10-7-12-9(6-13-10)8-4-2-1-3-5-8/h1-7H
InChIKey: IKWXPYFPNVAWJY-UHFFFAOYSA-N
SMILES: ClC1=NC=C(C2=CC=CC=C2)N=C1

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；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, 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.

유해성 정보

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

안전 데이터

wgk: WGK 3
ridadr: UN 2811 6.1 / PGIII
HS 번호: 2933998090
risk_code: 41
safety_code: 26-39
Hazard Classifications: Acute Tox. 3 OralEye Dam. 1
스토리지 클래스: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects