4-tert-Butyl-3,6-dichloropyridazine

HCID 89846CAS 22808-29-3

기본 정보

표준 SMILES: CC(C)(C)c1cc(Cl)nnc1Cl
InChIKey: DTUZXHRABOWYAE-UHFFFAOYSA-N
분자식: C8H10Cl2N2
평균 분자량: 205.08 g/mol
단동위원소 질량: 204.02210368

이름 및 식별자

우선 이름: 4-tert-Butyl-3,6-dichloropyridazine
IUPAC: 4-tert-butyl-3,6-dichloropyridazine
영어명: 4-tert-Butyl-3,6-dichloropyridazine
분자식: C8H10Cl2N2
분자량: 205.08

이름 및 동의어

4-tert-Butyl-3,6-dichloropyridazine3,6-Dichloro-4-(1,1-dimethylethyl)pyridazine3,6-Dichloro-4-tert-butylpyridazinePyridazine, 4-tert-butyl-3,6-dichloro-Pyridazine, 3,6-dichloro-4-(1,1-dimethylethyl)-DTXSID40945486RefChem:100506DTXCID001373800855-644-222808-29-34-(tert-Butyl)-3,6-dichloropyridazineMFCD01938756

이름 더 보기

4-TERT-BUTYL-3,6-DICHLOROPYRIDAZINE ISO 9001：2015 REACH

4-tert-butyl-3,6-dichloro-pyridazinePyridazine,3,6-dichloro-4-(1,1-dimethylethyl)-SCHEMBL249075SCHEMBL29417448DTUZXHRABOWYAE-UHFFFAOYSA-N3,6-dichloro-4-t-butylpyridazine4-t-butyl-3,6-dichloropyridazineAKOS015837947

데이터베이스 식별자

CAS: 22808-29-3
PubChem CID: 89846
DTXSID: DTXSID40945486
EC Number: 855-644-2
Nikkaji: J1.610.391H

물성

구조 계산 물성

XLogP: 3.4
극성 표면적: 25.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 12
형식 전하: 0
복잡도: 156

물리화학적 성질

녹는점: 37 · 37-40 °C
끓는 점: 297.3 · 297.3±35.0 °C(Predicted)
밀도: 1.231 · 1.231
굴절률: 1.52 · 1.52
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
용해도: 클로로포름, 디클로로메탄에 용해됨
물리적 상태: 기름
산도 계수 (pKa): -0.4 · -0.40±0.10(Predicted)
색상: 무색
EPA: 3 · Pyridazine, 3,6-dichloro-4-(1,1-dimethylethyl)- (22808-29-3)

화학적 성질

Colourless Oil

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

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.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (100%)

안전 데이터

독성: rat,LDLo,oral,500mg/kg (500mg/kg),SENSE ORGANS AND SPECIAL SENSES: CHROMODACYRORREA: EYEBEHAVIORAL: COMABEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD,National Technical Information Service. Vol. OTS0544009,