6-브로모-1,2,3,4-테트라히드로-4,4-디메틸퀴놀린염산염

6-Bromo-1,2,3,4-tetrahydro-4,4-dimethylquinoline

HCID 10823932CAS 135631-91-3

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CC1(C)CCNc2ccc(Br)cc21
InChIKey: WBOOAXJWGJAIMB-UHFFFAOYSA-N
분자식: C11H14BrN
평균 분자량: 240.14 g/mol
단동위원소 질량: 239.03096

이름 및 식별자

우선 이름: 6-Bromo-1,2,3,4-tetrahydro-4,4-dimethylquinoline
IUPAC: 6-bromo-4,4-dimethyl-2,3-dihydro-1H-quinoline
현지명: 6-브로모-1,2,3,4-테트라히드로-4,4-디메틸퀴놀린염산염
영어명: 6-bromo-1,2,3,4-tetrahydro-4,4-dimethylquinoline hydrochloride
분자식: C11H14BrN
분자량: 240.14

이름 및 동의어

135631-91-36-bromo-1,2,3,4-tetrahydro-4,4-dimethylQuinolineRefChem:3072876-bromo-4,4-dimethyl-2,3-dihydro-1H-quinoline6-bromo-4,4-dimethyl-1,2,3,4-tetrahydroquinoline6-BROMO-4,4-DIMETHYL-1,2,3,4-TETRAHYDRO-QUINOLINEMFCD09701997Quinoline, 6-bromo-1,2,3,4-tetrahydro-4,4-dimethyl-SCHEMBL1396642WBOOAXJWGJAIMB-UHFFFAOYSA-NAKOS024028374SB33002

이름 더 보기

6-브로모-1,2,3,4-테트라히드로-4,4-디메틸퀴놀린염산염6-broMo-14-tetrahydro-4CAS:135631-91-34-diMethylquinoline hydrochloride6-Bromo-4,4-dimethyl-1,2,3,4-tetrahydroquinoline, HCl6-BroMo-1,2,3,4-tetrahydro-4,4-diMethyl-quinoline HCl6-bromo-4,4-dimethyl-2,3-dihydro-1H-quinoline,hydrochloride

SY033774CS-02792986-Bromo-44-dimethyl-23-dihydro-1H-quinolineEN300-739656F16236F6868684,4-Dimethyl-6-bromo-1,2,3,4-tetrahydroquinoline6-bromo-4,4-dimethyl-2,3-dihydro-1H-quinoline hydrochloride

데이터베이스 식별자

CAS: 135631-91-3
PubChem CID: 10823932
EC Number: 839-077-8

물성

구조 계산 물성

XLogP: 3.9
극성 표면적: 12 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 0
무거운 원자 수: 13
형식 전하: 0
복잡도: 191

물리화학적 성질

끓는 점: 304.9 · 304.9±41.0 °C(Predicted)
밀도: 1.284 · 1.284±0.06 g/cm3(Predicted)
저장 조건: Room temperature.
산도 계수 (pKa): 4.33 · 4.33±0.40(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

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 exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, 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.