3-Chloro-6-hydrazinopyridazine

HCID 100787CAS 17284-97-8

기본 정보

표준 SMILES: NNc1ccc(Cl)nn1
InChIKey: FXYQRYGWWZKUFV-UHFFFAOYSA-N
분자식: C4H5ClN4
평균 분자량: 144.56 g/mol
단동위원소 질량: 144.0202739

이름 및 식별자

우선 이름: 3-Chloro-6-hydrazinopyridazine
IUPAC: (6-chloropyridazin-3-yl)hydrazine
영어명: 3-Chloro-6-hydrazinopyridazine
분자식: C4H5ClN4
분자량: 144.56

이름 및 동의어

3-Chloro-6-hydrazinopyridazine17284-97-83-Chloro-6-hydrazino-pyridazineAbc-9076-chloro-3-hydrazinopyridazine6-Chloro-3-hydrazino-pyridazineDTXSID30169412RefChem:500288DTXCID3091903605-647-83-chloro-6-hydrazinylpyridazine(3-Chloropyridazin-6-yl)hydrazine

이름 더 보기

3-chloro-6-hydrazineylpyridazineBUTTPARK 97\15-14AKOS BBS-00000699RARECHEM BG FB 0135oro-6-hydrazinopyridazine(6-Chloro-pyridazin-3-yl)...3-Hydrazino-6-chloropyridazine

(6-chloropyridazin-3-yl)hydrazineMFCD000517401-(6-CHLOROPYRIDAZIN-3-YL)HYDRAZINE3(2H)-Pyridazinone, 6-chloro-, hydrazone(6-Chloro-pyridazin-3-yl)-hydrazine3-chloropyridazin-6-yl hydrazinePYRIDAZINE, 3-CHLORO-6-HYDRAZINO-6-chloropyridazine-3-ylhydrazine

데이터베이스 식별자

CAS: 17284-97-8
PubChem CID: 100787
DTXSID: DTXSID30169412
ChEMBL: CHEMBL1307732
EC Number: 605-647-8
Nikkaji: J364.739K

물성

구조 계산 물성

XLogP: 0.4
극성 표면적: 63.8 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 4
회전 가능 결합 수: 1
무거운 원자 수: 9
형식 전하: 0
복잡도: 88

실험 및 물리화학적 성질

Solubility10.1 [ug/mL] (The mean of the results at pH 7.4)

물리화학적 성질

녹는점: 137 · 137-141 °C (lit.)
끓는 점: 271 · 271.0±23.0 °C(Predicted)
밀도: 1.63 · 1.63±0.1 g/cm3(Predicted)
저장 조건: -20 °C · Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
물리적 상태: 가루
산도 계수 (pKa): 5.34 · 5.34±0.20(Predicted)
색상: 회백색
BRN: 125591 · 125591
InChI: InChI=1S/C4H5ClN4/c5-3-1-2-4(7-6)9-8-3/h1-2H,6H2,(H,7,9)
InChIKey: FXYQRYGWWZKUFV-UHFFFAOYSA-N
SMILES: C1(Cl)=NN=C(NN)C=C1

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H302 (91.5%): Harmful if swallowed [Warning Acute toxicity, oral]；H317 (89.4%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H318 (89.4%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

P261, P264, P264+P265, P270, P272, P280, P301+P317, P302+P352, P305+P354+P338, P317, P321, P330, P333+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 4 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.