1,4-Dibromoisoquinoline

1,4-DIBROMOISOQUINOLINE · Isoquinoline, 1,4-dibromo- · 1,4-DIBROMOISOQUINOLINE ISO 9001：2015 REACH

https://huagongshe.com/ko/chemical/640981

식별자 및 물리적 특성

CAS No.	51206-40-7
분자식	C9H5Br2N
평균 분자량	286.95 g/mol
단동위원소 질량	284.87887 g/mol
SMILES	Brc1cnc(Br)c2ccccc12
InChIKey	KXAHDPKQOFASEB-UHFFFAOYSA-N
PubChem CID	640981
EC No.	849-622-1
DTXSID	DTXSID30348841

화학 및 물리적 성질

XLogP	3.8
극성 표면적	12.9
수소 결합 공여자 수	0
수소 결합 수용자 수	1
회전 가능 결합 수	0
무거운 원자 수	12
형식 전하	0
복잡도	163
끓는 점	352.5±22.0 °C(Predicted)
밀도	1.923
저장 조건	under inert gas (nitrogen or Argon) at 2-8°C
pKa(산도 계수)	-0.02±0.31(Predicted)

안전 및 규제

GHS 분류	DangerH301 (50%): Toxic if swallowed [Danger Acute toxicity, oral]H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H318 (50%): Causes serious eye damage [Danger Serious eye damage/eye irritation]H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, 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. 3 (50%)Skin Irrit. 2 (100%)Eye Dam. 1 (50%)STOT SE 3 (100%)
신호 어	Warning
유해·위험 문구	암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H302

CAS No.

51206-40-7

분자식

C9H5Br2N

평균 분자량

286.95 g/mol

단동위원소 질량

284.87887 g/mol

SMILES

Brc1cnc(Br)c2ccccc12

InChIKey

KXAHDPKQOFASEB-UHFFFAOYSA-N

PubChem CID

640981

EC No.

849-622-1

DTXSID

DTXSID30348841

화학 및 물리적 성질

XLogP

3.8

극성 표면적

12.9

수소 결합 공여자 수

수소 결합 수용자 수

회전 가능 결합 수

무거운 원자 수

형식 전하

복잡도

163

끓는 점

352.5±22.0 °C(Predicted)

밀도

1.923

저장 조건

under inert gas (nitrogen or Argon) at 2-8°C

pKa(산도 계수)

-0.02±0.31(Predicted)

안전 및 규제

GHS 분류

DangerH301 (50%): Toxic if swallowed [Danger Acute toxicity, oral]H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H318 (50%): Causes serious eye damage [Danger Serious eye damage/eye irritation]H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, 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. 3 (50%)Skin Irrit. 2 (100%)Eye Dam. 1 (50%)STOT SE 3 (100%)

신호 어

Warning

유해·위험 문구

암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H302