5-클로로(1H)인다졸

1H-Indazole, 5-chloro-

HCID 69681

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 698-26-0
표준 SMILES: Clc1ccc2[nH]ncc2c1
InChIKey: FVNCILPDWNBPLK-UHFFFAOYSA-N
분자식: C7H5ClN2
평균 분자량: 152.58 g/mol
단동위원소 질량: 152.0141259

이름 및 식별자

우선 이름: 1H-Indazole, 5-chloro-
IUPAC: 5-chloro-1H-indazole
현지명: 5-클로로(1H)인다졸
영어명: 5-Chloro (1H)indazole
분자식: C7H5ClN2
분자량: 152.58

이름 및 동의어

5-Chloro-1H-indazole1H-Indazole, 5-chloro-5-ChloroindazoleEINECS 211-812-1NSC 78434BRN 00032605-23-06-00175 (Beilstein Handbook Reference)DTXSID70220091RefChem:79838DTXCID70142582211-812-1FVNCILPDWNBPLK-UHFFFAOYSA-N

이름 더 보기

5-클로로(1H)인다졸5-chloro-1h-indazol5-chloro-3a,7a-dihydro-1H-indazole5-chloro-1H-indazole(SALTDATA: FREE)

698-26-0MFCD000227855-CHLORO INDAZOLE5-CHLORO (1H)INDAZOLECHEMBL2467465-chloro-2H-indazoleNSC78434A1EGB

데이터베이스 식별자

CAS: 698-26-0
PubChem CID: 69681
DTXSID: DTXSID70220091
ChEMBL: CHEMBL246746
EC Number: 211-812-1
Nikkaji: J41.009H

물성

구조 계산 물성

XLogP: 2.8
극성 표면적: 28.7 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 0
무거운 원자 수: 10
형식 전하: 0
복잡도: 129

물리화학적 성질

녹는점: 119 · 119-120 °C(Solv: water (7732-18-5))
끓는 점: 309.5 · 309.5±15.0 °C(Predicted)
밀도: 1.425 · 1.425±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
물리적 상태: solid
산도 계수 (pKa): 12.81 · 12.81±0.40(Predicted)
InChI: 1S/C7H5ClN2/c8-6-1-2-7-5(3-6)4-9-10-7/h1-4H,(H,9,10)
InChIKey: FVNCILPDWNBPLK-UHFFFAOYSA-N
SMILES: Clc1ccc2[nH]ncc2c1

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (50%): 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)

Aggregated GHS information provided per 2 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.