4-클로로-6-페닐피리미딘

4-Chloro-6-phenylpyrimidine

HCID 593429CAS 3435-26-5

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Clc1cc(-c2ccccc2)ncn1
InChIKey: RHTJKTOWBBKGNJ-UHFFFAOYSA-N
분자식: C10H7ClN2
평균 분자량: 190.63 g/mol
단동위원소 질량: 190.0297759

이름 및 식별자

우선 이름: 4-Chloro-6-phenylpyrimidine
IUPAC: 4-chloro-6-phenylpyrimidine
현지명: 4-클로로-6-페닐피리미딘
영어명: 4-Chloro-6-phenylpyrimidine
분자식: C10H7ClN2
분자량: 190.63

이름 및 동의어

4-Chloro-6-phenylpyrimidine3435-26-5Pyrimidine, 4-chloro-6-phenyl-DTXSID10343950RefChem:98498DTXCID10295026808-692-3RHTJKTOWBBKGNJ-UHFFFAOYSA-NMFCD002346044-chloro-6-phenyl-pyrimidineSCHEMBL632053SCHEMBL28474967

이름 더 보기

4-클로로-6-페닐피리미딘OTAVA-BB BB70203611584-chloro-6-phenylpyriMidine(Ⅲ)4-chloro-6-phenylpyrimidine - [C86529]4-chloro-6-phenylpyrimidine4-chloro-6-phenylpyrimidine

SCHEMBL29392239DAA43526SBB054540AKOS002672882SB57508SDCCGSBI-0660094.P001SY152244DB-332244

데이터베이스 식별자

CAS: 3435-26-5
PubChem CID: 593429
DTXSID: DTXSID10343950
EC Number: 808-692-3
Nikkaji: J144.460C

물성

구조 계산 물성

XLogP: 2.8
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: 158 °C · 158 °C
끓는 점: 329.8 · 329.8±22.0 °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
용해도: 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
산도 계수 (pKa): -0.5 · -0.50±0.17(Predicted)
물리적 상태: 고체
색상: 노란색에서 진한 노란색까지
InChI: 1S/C10H7ClN2/c11-10-6-9(12-7-13-10)8-4-2-1-3-5-8/h1-7H
InChIKey: RHTJKTOWBBKGNJ-UHFFFAOYSA-N
SMILES: ClC1=NC=NC(C2=CC=CC=C2)=C1

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]；H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

P264, P264+P265, P270, P280, P301+P316, P305+P354+P338, P317, P321, P330, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 2 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. 3 (100%)；Eye Dam. 1 (100%)

안전 데이터

wgk: WGK 3
Hazard Classifications: Acute Tox. 3 OralEye Dam. 1
스토리지 클래스: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects