CAS 475682-39-4 5-Bromo-6-methoxy-2-methylquinoline (HCID 11425256)

기본 정보

CAS: 475682-39-4
표준 SMILES: COc1ccc2nc(C)ccc2c1Br
InChIKey: UPDXSQFEBOHETE-UHFFFAOYSA-N
분자식: C11H10BrNO
평균 분자량: 252.11 g/mol

이름 및 식별자

우선 이름: 5-Bromo-6-methoxy-2-methylquinoline
IUPAC: 5-bromo-6-methoxy-2-methylquinoline
영어명: 5-Bromo-6-methoxyquinaldine
분자식: C11H10BrNO
분자량: 252.11

이름 및 동의어

5-BROMO-6-METHOXY-2-METHYLQUINOLINE475682-39-45-bromo-2-methyl-6-methoxyquinolineQuinoline, 5-bromo-6-methoxy-2-methyl-5-bromo-6-methoxy-2-methyl-quinolineSCHEMBL1336745UPDXSQFEBOHETE-UHFFFAOYSA-NMFCD20483961AKOS022889326SB686335-Bromo-6-methoxy-2-methylquinoline, 97%DB-219370

이름 더 보기

5-Bromo-6-methoxyquinaldine5-Bromo-6-methoxy-2-methylquinoline 97%5-bromo-6-methoxy-2-methylquinoline5-bromo-6-methoxy-2-lepidine

CS-0135427EN300-23629661Z1486010559

데이터베이스 식별자

CAS: 475682-39-4
PubChem CID: 11425256
EC Number: 803-982-6

물성

구조 계산 물성

XLogP: 3.3
극성 표면적: 22.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 14
형식 전하: 0
복잡도: 200

물리화학적 성질

녹는점: 65 · 65-71°C
끓는 점: 335.2 · 335.2±37.0 °C(Predicted)
밀도: 1.455 · 1.455±0.06 g/cm3(Predicted)
물리적 상태: solid
산도 계수 (pKa): 4.76 · 4.76±0.50(Predicted)
InChI: 1S/C11H10BrNO/c1-7-3-4-8-9(13-7)5-6-10(14-2)11(8)12/h3-6H,1-2H3
InChIKey: UPDXSQFEBOHETE-UHFFFAOYSA-N
SMILES: COc1ccc2nc(C)ccc2c1Br

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H301 (95.1%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 3 (95.1%)

안전 데이터

wgk: 3
ridadr: UN 2811 6.1 / PGIII
risk_code: 25-37/38-41
hazard_code: T,Xi
safety_code: 26-39-45
Hazard Classifications: Acute Tox. 3 OralEye Dam. 1Skin Irrit. 2STOT SE 3
스토리지 클래스: 6.1D - Non-combustible acute toxic Cat.3toxic hazardous materials or hazardous materials causing chronic effects