5-브로모-2-메틸-8-니트로-1,2,3,4-테트라히드로이소퀴놀린

5-Bromo-2-methyl-8-nitro-1,2,3,4-tetrahydroisoquinoline

HCID 10016010

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 104737-00-0
표준 SMILES: CN1CCc2c(Br)ccc([N+](=O)[O-])c2C1
InChIKey: DXRCGGKIRYSZQP-UHFFFAOYSA-N
분자식: C10H11BrN2O2
평균 분자량: 271.11 g/mol
단동위원소 질량: 270.00039

이름 및 식별자

우선 이름: 5-Bromo-2-methyl-8-nitro-1,2,3,4-tetrahydroisoquinoline
IUPAC: 5-bromo-2-methyl-8-nitro-3,4-dihydro-1H-isoquinoline
현지명: 5-브로모-2-메틸-8-니트로-1,2,3,4-테트라히드로이소퀴놀린
영어명: 5-bromo-2-methyl-8-nitro-1,2,3,4-tetrahydroisoquinoline
분자식: C10H11BrN2O2
분자량: 271.11

이름 및 동의어

104737-00-05-BROMO-2-METHYL-8-NITRO-1,2,3,4-TETRAHYDROISOQUINOLINEDTXSID70434257RefChem:301712DTXCID20385083836-847-55-bromo-2-methyl-8-nitro-3,4-dihydro-1H-isoquinolineMFCD09955235SCHEMBL30209385-Bromo-2-methyl-8-nitro-1234-tetrahydroisoquinolineIsoquinoline,5-bromo-1,2,3,4-tetrahydro-2-methyl-8-nitro-AKOS015908984

이름 더 보기

5-브로모-2-메틸-8-니트로-1,2,3,4-테트라히드로이소퀴놀린Isoquinoline, 5-bromo-1,2,3,4-tetrahydro-2-methyl-8-nitro-

DS-14019SY111586C71190F225363A1-104465-Bromo-1,2,3,4-tetrahydro-2-methyl-8-nitroisoquinoline5-bromo-2-methyl-8-nitro-1,2,3,4-tetrahydro-isoquinoline5-Bromo-N-methyl-8-nitro-1,2,3,4-tetrahydroisoquinoline

데이터베이스 식별자

CAS: 104737-00-0
PubChem CID: 10016010
DTXSID: DTXSID70434257
EC Number: 836-847-5
Nikkaji: J2.806.799B

물성

구조 계산 물성

XLogP: 2.3
극성 표면적: 49.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 0
무거운 원자 수: 15
형식 전하: 0
복잡도: 256

물리화학적 성질

녹는점: 88 · 88-89.5 °C(Solv: ethanol (64-17-5))
끓는 점: 345.7 · 345.7±42.0 °C(Predicted)
밀도: 1.546 · 1.546±0.06 g/cm3(Predicted)
저장 조건: Sealed in dry,Room Temperature
산도 계수 (pKa): 7.22 · 7.22±0.20(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.