브로모시클로부탄

Bromocyclobutane

HCID 78110CAS 4399-47-7

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: BrC1CCC1
InChIKey: KXVUSQIDCZRUKF-UHFFFAOYSA-N
분자식: C4H7Br
평균 분자량: 135 g/mol
단동위원소 질량: 133.97311232

이름 및 식별자

우선 이름: Bromocyclobutane
IUPAC: bromocyclobutane
현지명: 브로모시클로부탄
영어명: Cyclobutyl bromide
분자식: C4H7Br
분자량: 135

이름 및 동의어

Bromocyclobutane4399-47-7EINECS 224-530-9DTXSID20196010RefChem:570334DTXCID30118501224-530-9Cyclobutyl bromideCyclobutane, bromo-MFCD00001317cyclobutylbromidecyclobutylbromid

이름 더 보기

브로모사이클로뷰테인브로모시클로부탄obutaneCyclobutyl halideCyclobutane,bromo-BroMocyclobutane 96%Bromocyclobutane,95%Bromocyclobutane >Cyclobutylbromide,96%

bromo cyclobutanebromo-CyclobutaneBromocyclobutane, 96%R2WW7AXM8TSCHEMBL27396SCHEMBL1411615SCHEMBL2905548SCHEMBL3217229

데이터베이스 식별자

CAS: 4399-47-7
PubChem CID: 78110
DTXSID: DTXSID20196010
UNII: R2WW7AXM8T
EC Number: 224-530-9
Nikkaji: J205.778F

물성

구조 계산 물성

XLogP: 1.9
극성 표면적: 0 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 0
회전 가능 결합 수: 0
무거운 원자 수: 5
형식 전하: 0
복잡도: 30.6

실험 및 물리화학적 성질

SpringerMaterials PropertiesSchoenflies notation

물리화학적 성질

끓는 점: 108 °C · 108 °C(lit.)
밀도: 1.434 g/mL · 1.434 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.479(lit.)
인화점: 72 °F · 72 °F
저장 조건: 2 · Keep in dark place,Sealed in dry,2-8°C
용해도: 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 액체
색상: 무색의
수용성: 불용성
BRN: 1900415 · 1900415
InChI: InChI=1S/C4H7Br/c5-4-2-1-3-4/h4H,1-3H2
InChIKey: KXVUSQIDCZRUKF-UHFFFAOYSA-N
SMILES: C1(Br)CCC1
NIST: Cyclobutyl bromide(4399-47-7)

화학적 성질

CLEAR COLOURLESS LIQUID

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 49 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesFlam. Liq. 2 (100%)

안전 데이터

wgk: 3
ridadr: UN 1993 3/PG 2
HS 번호: 29038900
risk_code: 10-36/37/38-20/21/22
hazard_code: Xi,Xn
safety_code: 26-36-36/37/39-16
포장분류: II
위험 등급: 3
F 고인화성물질: 8
Hazard Classifications: Eye Irrit. 2Flam. Liq. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 3 - Flammable liquids

화학 및 산업

응용 분야 · 1건

용도Cyclobutyl bromide is a cyclopentyl compound that has an hydroxyl group. It is a potent inhibitor of the CB2 receptor, which is primarily expressed on cells of the immune system. Cyclobutyl bromide has been shown to inhibit the uptake of uv light and also has anti-inflammatory properties. Studies have confirmed that this drug inhibits the production of cytokines and chemokines in chronic bronchitis patients, as well as other inflammatory diseases such as rheumatoid arthritis.