3-클로로-2-히드라지노-1,2-디히드로피라진염산염

2-Chloro-3-hydrazinopyrazine

HCID 321430

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 63286-28-2
표준 SMILES: NNc1nccnc1Cl
InChIKey: PUUGNIKJWZNTBK-UHFFFAOYSA-N
분자식: C4H5ClN4
평균 분자량: 144.56 g/mol
단동위원소 질량: 144.0202739

이름 및 식별자

우선 이름: 2-Chloro-3-hydrazinopyrazine
IUPAC: (3-chloropyrazin-2-yl)hydrazine
현지명: 3-클로로-2-히드라지노-1,2-디히드로피라진염산염
영어명: 3-Chloro-2-hydrazino-1,2-dihydropyrazine hydrochloride
분자식: C4H5ClN4
분자량: 144.56

이름 및 동의어

2-Chloro-3-hydrazinopyrazineRefChem:468689640-727-62-chloro-3-hydrazinylpyrazine63286-28-2(3-chloropyrazin-2-yl)hydrazine1-(3-chloropyrazin-2-yl)hydrazineMFCD082728042-(3-CHLOROPYRAZIN-2-YL)HYDRAZINE3-chloro-2-hydrazinopyrazine2-chloro-3-hydrazineylpyrazineSCHEMBL1179963

이름 더 보기

3-클로로-2-히드라지노-1,2-디히드로피라진염산염oro-3-hydrazinyLPyrazine,2-chloro-3-hydrazinyl-2-Chloro-3-hydrazinopyrazine, 97%min2-chloro-3-hydrazinopyrazine(SALTDATA: FREE)

DTXSID00313546STL134905AKOS005745086PB16012SY0310073-Chloro-2(H)-pyrazinone hydrazoneNSC272203AM20070436

데이터베이스 식별자

CAS: 63286-28-2
PubChem CID: 321430
DTXSID: DTXSID00313546
EC Number: 640-727-6
Nikkaji: J3.477.953H

물성

구조 계산 물성

XLogP: 0.3
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

물리화학적 성질

녹는점: 154 · 154-159°C
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
용해도: DMSO(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 고체
산도 계수 (pKa): 1.27 · 1.27±0.20(Predicted)
색상: 매우 어두운 빨간색에서 갈색까지
InChI: 1S/C4H5ClN4/c5-3-4(9-6)8-2-1-7-3/h1-2H,6H2,(H,8,9)
InChIKey: PUUGNIKJWZNTBK-UHFFFAOYSA-N
SMILES: NNc1nccnc1Cl

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H301 (97.6%): Toxic if swallowed [Danger Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (95.1%): Causes serious eye damage [Danger 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+P316, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 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.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 3 (97.6%)；Skin Irrit. 2 (100%)；Eye Dam. 1 (95.1%)；STOT SE 3 (100%)

안전 데이터

wgk: 3
ridadr: UN 2811 6.1 / PGIII
HS 번호: 2933998090
risk_code: 22-37/38-41
hazard_code: Xn
safety_code: 26-39
위험 등급: 6.1
Hazard Classifications: Acute Tox. 3 OralEye Dam. 1Skin Irrit. 2STOT SE 3
스토리지 클래스: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects