5-브로모-8-ISOQUINOLINEAMINE

5-Bromoisoquinolin-8-amine

HCID 16218302CAS 90721-35-0

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Nc1ccc(Br)c2ccncc12
InChIKey: BTFXYVXBWMRHIB-UHFFFAOYSA-N
분자식: C9H7BrN2
평균 분자량: 223.07 g/mol
단동위원소 질량: 221.97926

이름 및 식별자

우선 이름: 5-Bromoisoquinolin-8-amine
IUPAC: 5-bromoisoquinolin-8-amine
현지명: 5-브로모-8-ISOQUINOLINEAMINE
영어명: 5-BROMO-8-ISOQUINOLINEAMINE
분자식: C9H7BrN2
분자량: 223.07

이름 및 동의어

5-Bromoisoquinolin-8-amine90721-35-0DTXSID50584865RefChem:302048DTXCID50535630624-825-68-Amino-5-bromoisoquinoline5-Bromo-8-isoquinolineamine5-Bromoisoquinolin-8-ylamineMFCD092610475-BROMO-ISOQUINOLIN-8-YLAMINE8-ISOQUINOLINAMINE, 5-BROMO-

이름 더 보기

5-브로모-8-ISOQUINOLINEAMINE8-Isoquinolinamine,5-bromo-(9CI)5-BROMO-8-ISOQUINOLINEAMINE ISO 9001：2015 REACH5-Bromoisoquinolin-8-amine, 5-Bromo-2-azanaphthalen-8-amine

CHEMBL4848146SCHEMBL2468235- Bromoisoquinolin-8-amine5-BROMO-8-ISOQUINOLINAMINESCHEMBL30319516BTFXYVXBWMRHIB-UHFFFAOYSA-N5-BROMO-8-AMINOISOQUINOLINE8-Amino-5-bromoisoquinoline, 90%

데이터베이스 식별자

CAS: 90721-35-0
PubChem CID: 16218302
DTXSID: DTXSID50584865
ChEMBL: CHEMBL4848146
EC Number: 624-825-6

물성

구조 계산 물성

XLogP: 2.1
극성 표면적: 38.9 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 0
무거운 원자 수: 12
형식 전하: 0
복잡도: 163

물리화학적 성질

녹는점: 186 · 186-190 °C
끓는 점: 370.3 · 370.3±27.0 °C(Predicted)
밀도: 1.649 · 1.649±0.06 g/cm3(Predicted)
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
물리적 상태: 결정성 분말
산도 계수 (pKa): 5.22 · 5.22±0.36(Predicted)
색상: 황백색에서 갈색까지
InChI: 1S/C9H7BrN2/c10-8-1-2-9(11)7-5-12-4-3-6(7)8/h1-5H,11H2
InChIKey: BTFXYVXBWMRHIB-UHFFFAOYSA-N
SMILES: Nc1ccc(Br)c2ccncc12

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H301 (95.2%): Toxic if swallowed [Danger Acute toxicity, oral]；H319 (95.2%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264, P264+P265, P270, P280, P301+P316, P305+P351+P338, P321, P330, P337+P317, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 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 (95.2%)；Eye Irrit. 2A (95.2%)

안전 데이터

wgk: 3
ridadr: UN 2811 6.1/PG 3
HS 번호: 2933499090
risk_code: 25-36
hazard_code: T
safety_code: 26-45
Hazard Classifications: Acute Tox. 3 OralEye Irrit. 2
스토리지 클래스: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects