4-Bromo-2,6-dimethylphenol

HCID 16919CAS 2374-05-2

기본 정보

표준 SMILES: Cc1cc(Br)cc(C)c1O
InChIKey: ZLVFYUORUHNMBO-UHFFFAOYSA-N
분자식: C8H9BrO
평균 분자량: 201.06 g/mol
단동위원소 질량: 199.98367701

이름 및 식별자

우선 이름: 4-Bromo-2,6-dimethylphenol
IUPAC: 4-bromo-2,6-dimethylphenol
영어명: 4-Bromo-2,6-dimethylphenol
분자식: C8H9BrO
분자량: 201.06

이름 및 동의어

4-Bromo-2,6-dimethylphenol2374-05-24-Bromo-2,6-xylenolPhenol, 4-bromo-2,6-dimethyl-2,6-XYLENOL, 4-BROMO-PE2VSV8GBMNSC-63922DTXSID9062354RefChem:519160DTXCID0036928219-153-12,6-dimethyl-4-bromophenol

이름 더 보기

AKOS BBB/3734-bromo-6-xylenolBROMO(4-)2,6-XYLENOL4-Bromo-2,6-xylenol 97%4-Bromo-2,6-dimethylphenol 99%

MFCD00002314BROMODIMETHYLPHENOL58170-30-24-bromo-2,6-dimethyl-phenolNSC639222, 4-bromo-NCIOpen2_0027444-bromo-2,6 dimethylphenol

데이터베이스 식별자

CAS: 2374-05-2、58170-30-2
PubChem CID: 16919
DTXSID: DTXSID9062354
UNII: PE2VSV8GBM
EC Number: 219-153-1
Nikkaji: J107.277C

물성

구조 계산 물성

XLogP: 2
극성 표면적: 20.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 0
무거운 원자 수: 10
형식 전하: 0
복잡도: 104

실험 및 물리화학적 성질

Chemical ClassesOther Classes -> Phenols

DrugsPharmaceuticals

Physical DescriptionRed or light brown crystalline powder with a phenolic odor; [Alfa Aesar MSDS]

물리화학적 성질

녹는점: 74 · 74-78 °C (lit.)
끓는 점: 195.33 °C · 195.33°C (rough estimate)
밀도: 1.3646 · 1.3646 (rough estimate)
굴절률: 1.565 · 1.5650 (estimate)
저장 조건: Inert atmosphere,Room Temperature
물리적 상태: powder to crystal
산도 계수 (pKa): 10.1 · 10.10±0.23(Predicted)
색상: White to Light yellow to Light orange
수용성: 물에 약간 용해됩니다.
BRN: 1862399 · 1862399
InChI: InChI=1S/C8H9BrO/c1-5-3-7(9)4-6(2)8(5)10/h3-4,10H,1-2H3
InChIKey: ZLVFYUORUHNMBO-UHFFFAOYSA-N
SMILES: C1(O)=C(C)C=C(Br)C=C1C
NIST: 4 · Phenol, 4-bromo-2,6-dimethyl-(2374-05-2)
EPA: 4 · Phenol, 4-bromo-2,6-dimethyl- (2374-05-2)

화학적 성질

LIGHT PINK-BEIGE TO BROWN CRYSTALS OR POWDER

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (12.8%): Harmful if swallowed [Warning Acute toxicity, oral]

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 47 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazards SummaryIntraperitoneal LD50 (mouse) = 650 mg/kg; [RTECS] A skin and strong eye irritant; Harmful by ingestion and skin absorption; [Alfa Aesar MSDS] See Xylenol.

Hazard Classes and CategoriesAcute Tox. 4 (12.8%)

안전 데이터

wgk: 3
tsca: TSCA listed
rtecs: ZE6780000
ridadr: UN 2811 6.1/PG 3
HS 번호: 29081990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-37/39
위험 등급: IRRITANT
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

용도 및 제조

UsesUse (kg; approx.) in Germany (2009): >100

General Manufacturing InformationPhenol, 4-bromo-2,6-dimethyl-: INACTIVE

응용 분야 · 2건

용도It is used as a preservatives for coatings, slurries and to control microbial fouling in paper mills , oil field and leather process and water treatment process against microbial attack.

일반 설명Iodine initiated polymerization of 4-bromo-2,6-xylenol in tetrahydrofuran solution has been investigated. 4-Bromo-2,6-xylenol on bromination in chloroform or carbobn tetrachloride yields 3,4-dibromo-2,6-xylenol and 3,4,5-tribromo-2,6-xylenol.