CAS 6952-89-2 4-Bromophenyl cyclopropyl ketone (HCID 81394)

기본 정보

CAS: 6952-89-2
표준 SMILES: O=C(c1ccc(Br)cc1)C1CC1
InChIKey: QTHHOINSCNBYQO-UHFFFAOYSA-N
분자식: C10H9BrO
평균 분자량: 225.08 g/mol
단동위원소 질량: 223.98368

이름 및 식별자

우선 이름: 4-Bromophenyl cyclopropyl ketone
IUPAC: (4-bromophenyl)-cyclopropylmethanone
현지명: (4-브로모페닐)(시클로프로필)메탄온
영어명: (4-Bromophenyl)(cyclopropyl)methanone
분자식: C10H9BrO
분자량: 225.08

이름 및 동의어

6952-89-24-Bromophenyl cyclopropyl ketone(4-Bromophenyl)cyclopropylmethanoneMethanone, (4-bromophenyl)cyclopropyl-EINECS 230-130-5DTXSID80219774NSC 70846RefChem:98214DTXCID30142265230-130-5QTHHOINSCNBYQO-UHFFFAOYSA-N(4-bromophenyl)(cyclopropyl)methanone

이름 더 보기

(4-브로모페닐)(시클로프로필)메탄온TIMTEC-BB SBB005772(4-Bromobenzoyl)cyclopropane4-BROMO-CYCLOPROPYLCARBONYLBENZENEMethanone,(4-broMophenyl)cyclopropyl-(4-Bromophenyl)cyclopropylmethanone,95%2-(4-bromophenyl)-1-cyclopropanecarboxaldehyde

(4-Bromophenyl)(cyclopropyl)ketoneMFCD00019227(4-bromophenyl)-cyclopropylmethanone(4-Bromophenyl)cyclopropyl-methanoneNSC70846SCHEMBL13463NSC-70846AKOS005070089

데이터베이스 식별자

CAS: 6952-89-2
PubChem CID: 81394
DTXSID: DTXSID80219774
EC Number: 230-130-5
Nikkaji: J265.990E

물성

구조 계산 물성

XLogP: 2.9
극성 표면적: 17.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 2
무거운 원자 수: 12
형식 전하: 0
복잡도: 178

실험 및 물리화학적 성질

Kovats Retention Index1653

물리화학적 성질

녹는점: 40 to · 40.0 to 44.0 °C
끓는 점: 204 °C/10mmHg · 204°C/10mmHg(lit.)
밀도: 1.45 · 1.45
굴절률: 1.5919 · 1.5919
저장 조건: Sealed in dry,Room Temperature
물리적 상태: 결정질 분말 또는 저융점 결정질 덩어리
색상: 노란색 또는 베이지색에서 주황색까지

화학적 성질

BEIGE TO LIGHT BROWN CRYSTALLINE LOW MELTING SOLID

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): 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, 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.