1,3,5-Tribromobenzene (HCID 12279)

이름 및 식별자

우선 이름: 1,3,5-Tribromobenzene
IUPAC: 1,3,5-tribromobenzene
현지명: 1,3,5-트리브로모벤젠
영어명: 1,3,5-Tribromobenzene
분자식: C6H3Br3
분자량: 314.8

이름 및 동의어

1,3,5-TRIBROMOBENZENE626-39-1Benzene, 1,3,5-tribromo-DTXSID3052307O3TD0U1OAQDTXCID0030879NSC-62439RefChem:72330210-947-31,3,5-tribromo-benzeneEINECS 210-947-3MFCD00000080

이름 더 보기

1,3,5-트라이브로모벤젠1,3,5-트리브로모벤젠Tribromobenzene1,3,5-tribromo-benzenK03375-TribroMobenzeneTribromobenzene,98%1,3,5-tribroMophenylBenzene,1,3,5-tribromo-I,3,5-TribrombenzolC&W%161,3,5-Tribromobenzene >

AI3-154831,3,5-tribromobezeneBenzene,3,5-tribromo-1,3,5-Tribromobenzene, 98%NCGC00357185-01CAS-626-39-1SY006267CS-0019382

데이터베이스 식별자

CAS: 626-39-1
PubChem CID: 12279
DTXSID: DTXSID3052307
UNII: O3TD0U1OAQ
EC Number: 210-947-3
Nikkaji: J3.310C

물성

구조 계산 물성

XLogP: 4.5
극성 표면적: 0 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 0
회전 가능 결합 수: 0
무거운 원자 수: 9
형식 전하: 0
복잡도: 63.3

실험 및 물리화학적 성질

SpringerMaterials Properties13C nuclear magnetic resonance spectrum

물리화학적 성질

녹는점: 117 · 117-121 °C (lit.)
끓는 점: 271 °C · 271 °C (lit.)
밀도: 2.3515 · 2.3515 (estimate)
굴절률: 1.634 · 1.6340 (estimate)
인화점: 271 °C · 271°C
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
용해도: 벤젠, 클로로포름 및 에테르에 용해됨(Weast, 1986)
물리적 상태: 가루
색상: 거의 흰색에서 주황색 갈색
수용성: 뜨거운 에탄올과 아세트산에 용해됩니다. 물에 불용성.
BRN: 1858917 · 1858917
Henry's Law Constant: 1.3 · 1.3×10-2 mol/(m3Pa) at 25℃, Duchowicz et al. (2020)
InChI: 1S/C6H3Br3/c7-4-1-5(8)3-6(9)2-4/h1-3H
InChIKey: YWDUZLFWHVQCHY-UHFFFAOYSA-N
SMILES: Brc1cc(Br)cc(Br)c1
NIST: 1 · Benzene, 1,3,5-tribromo-(626-39-1)
EPA: 1 · 1,3,5-Tribromobenzene (626-39-1)

화학적 성질 · 1건

Lump powder; Vapour pressure of 1,3,5-tribromobenzene between 295 and 389 K (solid) and 397 and 410 K (liquid). The enthalpies of sublimation and vaporisation were derived from the relationship between vapour pressure and temperature: ΔH°SUB(334.78 K) = 83.54 ± 2 kJ/mol and ΔH°vap(403.23 K) = 58.68 ± 1.5 kJ/mol.

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (17%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 53 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 2건

Hazard Traits - Bioaccumulation; Environmental Persistence

1,3,5-tribromobenzene: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazard Classes and CategoriesSkin Irrit. 2 (17%)

안전 데이터

wgk: 3
tsca: TSCA listed
rtecs: DC1957200
HS 번호: 29036990
risk_code: 36/37/38-53
hazard_code: Xi
safety_code: 22-24/25-37/39-26
Hazard Classifications: Aquatic Chronic 4
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

용도 및 제조

General Manufacturing InformationBenzene, 1,3,5-tribromo-: ACTIVE

응용 분야 · 2건

용도1,3,5-Tribromobenzene, is a reagent that can be used in the preparation of different inhibitors. It is also a substituted Bromobenzene, a general reagent in palladium-catalyzed reactions and in the synthesis of Grignard reagents.

일반 설명1,3,5-Tribromobenzene(TBB) acts as internal standard during derivatization step in determination of cyanide in human plasma and urine by gas chromatography-mass spectrometry. TBB forms molecular complexes of 1:2 stoichiometry with [60]-and [70] fullerenes. TBB reacts with perfluoroalkenylzinc reagent in the presence of Pd(Ph3)4 catalyst to yield a novel trifunctional monomer 1,3,5-tris(α, β, β-trifluorovinyl)benzene.