CAS 626-41-5 3,5-Dibromophenol (HCID 12280)

이름 및 식별자

우선 이름: 3,5-Dibromophenol
IUPAC: 3,5-dibromophenol
영어명: 3,5-Dibromophenol
분자식: C6H4Br2O
분자량: 251.9

이름 및 동의어

3,5-DIBROMOPHENOLPhenol, 3,5-dibromo-DTXSID70211646RefChem:91445DTXCID00134137629-188-8626-41-53,5-DibromphenolMFCD064113763,5-Dibromophenol, 97%SCHEMBL309955TD1260

이름 더 보기

3,5-Dlbromophenol3,5-Dibromophenol>Phenol, 3,5-dibroMo-3 5-DIBROMOPHENOL 973,5-Dibromophenol 98%Phloroglucinol Impurity 153,5-Dibromophenol pure, 98%3,5-Dibromophenol@100 μg/mL in Toluene

AKOS005068134CS-W007905GS-3389SY012996D3820EN300-1137043,5-Dibromo-phenolBCP05888

데이터베이스 식별자

CAS: 626-41-5
PubChem CID: 12280
DTXSID: DTXSID70211646
ChEMBL: CHEMBL450082
EC Number: 629-188-8
Nikkaji: J94.907H

물성

구조 계산 물성

XLogP: 3.5
극성 표면적: 20.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 0
무거운 원자 수: 9
형식 전하: 0
복잡도: 87

물리화학적 성질

녹는점: 79 · 79-83 °C (lit.)
끓는 점: 122 °C/3mmHg · 122°C/3mmHg(lit.)
밀도: 1.8854 · 1.8854 (rough estimate)
굴절률: 1.538 · 1.5380 (estimate)
저장 조건: Inert atmosphere,Room Temperature
산도 계수 (pKa): 1 · pK1:8.056 (25°C)
물리적 상태: powder to crystal
색상: White to Light yellow to Light orange
수용성: 물에 잘 녹습니다. 메탄올에 용해됩니다.
InChI: 1S/C6H4Br2O/c7-4-1-5(8)3-6(9)2-4/h1-3,9H
InChIKey: PZFMWYNHJFZBPO-UHFFFAOYSA-N
SMILES: Oc1cc(Br)cc(Br)c1

화학적 성질

White to brown solid

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H301 (97.7%): Toxic if swallowed [Danger Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, 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 43 reports by companies from 6 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.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 3 (97.7%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.7%)

안전 데이터

wgk: 3
ridadr: UN 2811 6.1/PG 3
HS 번호: 29081990
risk_code: 22-36/37/38
hazard_code: Xn,Xi
safety_code: 26-36
포장분류: Ⅲ
위험 등급: 6.1
위험 참고 사항: Irritant/Keep Cold
Hazard Classifications: Acute Tox. 3 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects