7-Bromo-4,4-dimethyl-1,2,3,4-tetrahydronaphthalen-1-one

HCID 10753357CAS 166978-46-7

기본 정보

표준 SMILES: CC1(C)CCC(=O)c2cc(Br)ccc21
InChIKey: QZSBQGIPLDEDIX-UHFFFAOYSA-N
분자식: C12H13BrO
평균 분자량: 253.13 g/mol
단동위원소 질량: 252.01497714

이름 및 식별자

우선 이름: 7-Bromo-4,4-dimethyl-1,2,3,4-tetrahydronaphthalen-1-one
IUPAC: 7-bromo-4,4-dimethyl-2,3-dihydronaphthalen-1-one
영어명: 7-Bromo-4,4-dimethyl-3,4-dihydro-2H-naphthalen-1-one
분자식: C12H13BrO
분자량: 253.13

이름 및 동의어

7-bromo-4,4-dimethyl-1,2,3,4-tetrahydronaphthalen-1-oneRefChem:545794839-253-4166978-46-77-BROMO-4,4-DIMETHYL-3,4-DIHYDRONAPHTHALEN-1(2H)-ONE7-Bromo-4,4-dimethyl-1-tetralone7-BROMO-4,4-DIMETHYL-3,4-DIHYDRO-2H-NAPHTHALEN-1-ONEMFCD073573781(2H)-Naphthalenone, 7-bromo-3,4-dihydro-4,4-dimethyl-7-bromo-4,4-dimethyl-2,3-dihydronaphthalen-1-one7-Bromo-3,4-dihydro-4,4-dimethylnaphthalen-1(2H)-one7-Bromo-4,4-dimethyl-1-oxo-1,2,3,4-tetrahydronaphthalene

이름 더 보기

1,2,3,4-tetrahydro-4,4-dimethyl-1-oxo-7-bromo-naphthalene7-Bromo-3,4-dihydro-4,4-dimethylnaphthalen-1(2H)-one; 7-Bromo-4,4-dimethyl-1-oxo-1,2,3,4-tetrahydronaphthalene; 7-Bromo-4,4-dimethyl-3,4-dihydronaphthalen-1-one;7-Bromo-4,4-dimethyl-3,4-dihydronaphthalen-1-one7-bromo-4,4-dimethyl-tetralin-1-oneSCHEMBL445935SCHEMBL30279114DTXSID80444448QZSBQGIPLDEDIX-UHFFFAOYSA-N

데이터베이스 식별자

CAS: 166978-46-7
PubChem CID: 10753357
DTXSID: DTXSID80444448
EC Number: 839-253-4
Nikkaji: J714.179C

물성

구조 계산 물성

XLogP: 3.6
극성 표면적: 17.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 0
무거운 원자 수: 14
형식 전하: 0
복잡도: 247

물리화학적 성질

녹는점: 56 · 56-57 °C
끓는 점: 325.6 · 325.6±41.0 °C(Predicted)
밀도: 1.351 · 1.351±0.06 g/cm3(Predicted)
저장 조건: Refrigerator
용해도: 클로로포름, 디클로로메탄, 에틸아세테이트에 용해됨
물리적 상태: 고체
색상: 옅은 노랑

화학적 성질

Pale Yellow Solid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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.