2,4,6-트리클로로벤질 알코올

2,4,6-Trichlorobenzyl alcohol

HCID 4582574

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 217479-60-2
표준 SMILES: OCc1c(Cl)cc(Cl)cc1Cl
InChIKey: WKJWKKDGJLKFER-UHFFFAOYSA-N
분자식: C7H5Cl3O
평균 분자량: 211.5 g/mol
단동위원소 질량: 209.940598

이름 및 식별자

우선 이름: 2,4,6-Trichlorobenzyl alcohol
IUPAC: (2,4,6-trichlorophenyl)methanol
현지명: 2,4,6-트리클로로벤질 알코올
영어명: 2 4 6-Trichlorobenzyl alcohol 97
분자식: C7H5Cl3O
분자량: 211.47

이름 및 동의어

2,4,6-Trichlorobenzyl alcohol217479-60-2DTXSID10404510RefChem:82098DTXCID40355364626-325-3WKJWKKDGJLKFER-UHFFFAOYSA-N(2,4,6-trichlorophenyl)methanolMFCD030938912,4,6-trichlorobenzylalcoholBenzenemethanol, 2,4,6-trichloro-CL8689

이름 더 보기

2,4,6-트리클로로벤질알코올246-트리클로로벤질알코올972 4 6-Trichlorobenzyl alcohol 97

2,4,6-Trichlorobenzyl alcohol, 97%DS-1059SY107273EN300-1073540ghl.PD_Mitscher_leg0.514ghl.PD_FT-0720508246-Trichlorobenzyl alcohol

데이터베이스 식별자

CAS: 217479-60-2
PubChem CID: 4582574
DTXSID: DTXSID10404510
EC Number: 626-325-3
Nikkaji: J2.173.306G

물성

구조 계산 물성

XLogP: 2.9
극성 표면적: 20.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 1
무거운 원자 수: 11
형식 전하: 0
복잡도: 119

물리화학적 성질

녹는점: 98 · 98-101 °C (lit.)
끓는 점: 299.4 · 299.4±35.0 °C(Predicted)
밀도: 1.52 · 1.520±0.06 g/cm3(Predicted)
저장 조건: Sealed in dry,Room Temperature
산도 계수 (pKa): 13.18 · 13.18±0.10(Predicted)
InChI: 1S/C7H5Cl3O/c8-4-1-6(9)5(3-11)7(10)2-4/h1-2,11H,3H2
InChIKey: WKJWKKDGJLKFER-UHFFFAOYSA-N
SMILES: OCc1c(Cl)cc(Cl)cc1Cl

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

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

P261, P264, P264+P265, P271, 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 39 reports by companies from 2 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 CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

안전 데이터

wgk: 3
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 1건

용도2,4,6-Trichlorobenzyl Alcohol is an intermediate in the synthesis of 1,3,5-Trichloro-2-methylbenzene (T774363). 1,3,5-Trichloro-2-methylbenzene can be used as reactant/reagent in hydrodechlorination process and catalysts for the production of 2,6-dichlorotoluene from polychlorotoluene-containing mixtures. Also, it is derived from 2,4,6-Trichlorobenzoic Acid (T774715), which is a possible degradation intermediate of Polychlorinated Biphenyls (PCBs) in contaminated soil, suggesting the occurrence of microbial transformation processes over time.