Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용

HCID 69681생성일: 2026년 10월 27일

5-클로로(1H)인다졸

5-클로로(1H)인다졸 · 5-CHLOROINDAZOLE · 5-chloro-1h-indazol · 5-Chloro (1H)indazole · 1H-Indazole, 5-chloro- · 5-Chloro-1H-indazole · 5-chloro-3a,7a-dihydro-1H-indazole · 5-chloro-1H-indazole(SALTDATA: FREE)

https://huagongshe.com/ko/chemical/69681

식별자 및 물리적 특성

CAS No.	698-26-0
분자식	C7H5ClN2
평균 분자량	152.58 g/mol
단동위원소 질량	152.0141259 g/mol
SMILES	Clc1ccc2[nH]ncc2c1
InChIKey	FVNCILPDWNBPLK-UHFFFAOYSA-N
PubChem CID	69681
ChEMBL	CHEMBL246746
EC No.	211-812-1
DTXSID	DTXSID70220091
현지명	5-클로로(1H)인다졸

화학 및 물리적 성질

XLogP	2.8
극성 표면적	28.7
수소 결합 공여자 수	1
수소 결합 수용자 수	1
회전 가능 결합 수	0
무거운 원자 수	10
형식 전하	0
복잡도	129
녹는점	119-120 °C(Solv: water (7732-18-5))
끓는 점	309.5±15.0 °C(Predicted)
밀도	1.425±0.06 g/cm3(Predicted)
저장 조건	2-8°C
물리적 상태	solid
pKa(산도 계수)	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	WarningH302 (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 exposureRespiratory 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.
Hazard Classes and Categories	Acute Tox. 4 (100%)Skin Irrit. 2 (50%)Eye Irrit. 2A (50%)STOT SE 3 (50%)
수질 위해 등급(WGK)	WGK 3
관세 코드	2933998090
위험 문구(R)	22
위험 표시	Xn
위험 등급	IRRITANTAcute Tox. 4 Oral
저장 분류	11 - Combustible Solids

CAS No.

698-26-0

분자식

C7H5ClN2

평균 분자량

152.58 g/mol

단동위원소 질량

152.0141259 g/mol

SMILES

Clc1ccc2[nH]ncc2c1

InChIKey

FVNCILPDWNBPLK-UHFFFAOYSA-N

PubChem CID

69681

ChEMBL

CHEMBL246746

EC No.

211-812-1

DTXSID

DTXSID70220091

현지명

5-클로로(1H)인다졸

화학 및 물리적 성질

XLogP

2.8

극성 표면적

28.7

수소 결합 공여자 수

수소 결합 수용자 수

회전 가능 결합 수

무거운 원자 수

형식 전하

복잡도

129

녹는점

119-120 °C(Solv: water (7732-18-5))

끓는 점

309.5±15.0 °C(Predicted)

밀도

1.425±0.06 g/cm3(Predicted)

저장 조건

2-8°C

물리적 상태

solid

pKa(산도 계수)

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

WarningH302 (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 exposureRespiratory 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.

Hazard Classes and Categories

Acute Tox. 4 (100%)Skin Irrit. 2 (50%)Eye Irrit. 2A (50%)STOT SE 3 (50%)

수질 위해 등급(WGK)

WGK 3

관세 코드

2933998090

위험 문구(R)

위험 표시

위험 등급

IRRITANTAcute Tox. 4 Oral

저장 분류

11 - Combustible Solids