4-Bromo-3-fluorotoluene (HCID 573280)

이름 및 식별자

우선 이름: 4-Bromo-3-fluorotoluene
IUPAC: 1-bromo-2-fluoro-4-methylbenzene
영어명: 4-Bromo-3-fluorotoluene
분자식: C7H6BrF
분자량: 189.02

이름 및 동의어

4-Bromo-3-fluorotoluene452-74-4DTXSID60341466RefChem:519960DTXCID80292547629-423-41-Bromo-2-fluoro-4-methylbenzene3-fluoro-4-bromotolueneBenzene, 1-bromo-2-fluoro-4-methyl-1-BROMO-2-FLUORO-4-METHYL-BENZENEMFCD000409403-fluoro-4-bromo-toluene

이름 더 보기

4-Bromo-3-fL4-Bromo-3-flurotoluene3-FLUORO-4-BROMO-TOLUONE4-Bromo-3-fluorotoluene >4-Bromo-3-fluorotoluene 98%4-Bromo-3-fluorotoluene,98+%4-BroMo-3-fluorotoluene, 98% 5GR

4-bromo3-fluorotolueneTrelagliptin Impurity 95SCHEMBL157146SCHEMBL4044340SCHEMBL9795831SCHEMBL9795840SCHEMBL20490056SCHEMBL29570973

데이터베이스 식별자

CAS: 452-74-4
PubChem CID: 573280
DTXSID: DTXSID60341466
EC Number: 629-423-4
Nikkaji: J1.355.812D

물성

구조 계산 물성

XLogP: 3.1
극성 표면적: 0 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 0
무거운 원자 수: 9
형식 전하: 0
복잡도: 94.9

물리화학적 성질

끓는 점: 95 °C/50 · 95 °C/50 mmHg (lit.)
밀도: 1.494 g/mL · 1.494 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.53(lit.)
인화점: 95 °F · 95 °F
저장 조건: Sealed in dry,Room Temperature
물리적 상태: 액체
Specific Gravity: 1.494 · 1.494
색상: 맑은 연한 노란색
BRN: 2500154 · 2500154
InChI: InChI=1S/C7H6BrF/c1-5-2-3-6(8)7(9)4-5/h2-4H,1H3
InChIKey: SLFNGVGRINFJLK-UHFFFAOYSA-N
SMILES: C1(Br)=CC=C(C)C=C1F

화학적 성질

colorless to light yellow liqui

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H226 (89.4%): Flammable liquid and vapor [Warning 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 47 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesFlam. Liq. 3 (89.4%)

안전 데이터

wgk: 3
ridadr: UN 1993 3/PG 3
HS 번호: 29039990
risk_code: 10-36/37/38
hazard_code: Xi
safety_code: 26-37/39-16
포장분류: III
위험 등급: 3
위험 참고 사항: Irritant
Hazard Classifications: Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3
스토리지 클래스: 3 - Flammable liquids

화학 및 산업

응용 분야 · 2건

용도4-Bromo-3-fluorotoluene is used in the synthesis of S-trityl-L-cysteine based inhibitors that show potent antitumor activity in lung cancer models. Chemical reagent for organic synthesis.

일반 설명4-Bromo-3-fluorotoluene (1-bromo-2-fluoro-4-methylbenzene) is an aryl fluorinated building block. Synthesis of 4-bromo-3-fluorotoluene from o-nitro-p-toluidine (Fast Red Base GL), via diazo reaction at high temperature, Sandmeyer reaction, reduction and Schiemann reaction has been reported. Its density and refractive index have been determined.