基本情報
- CAS
133-53-9- 標準SMILES
Cc1cc(O)c(Cl)c(C)c1Cl- InChIKey
IYOLBFFHPZOQGW-UHFFFAOYSA-N- 分子式
- C8H8Cl2O
- 平均分子量
- 191.05 g/mol
- 単同位体質量
- 189.9952203
概要
Dichloroxylenol is a small molecule drug. Dichloroxylenol has a monoisotopic molecular weight of 190.0 Da.
名称と識別子
- 優先名称
- 2,4-Dichloro-3,5-dimethylphenol
- IUPAC
- 2,4-dichloro-3,5-dimethylphenol
- 現地名
- 2,4-ジクロロ-3,5-ジメチルフェノール
- 英語名
- 2,4-Dichloro-3,5-dimethylphenol
- 分子式
- C8H8Cl2O
- 分子量
- 191.05
名称と別名
2,4-Dichloro-3,5-dimethylphenolDichloroxylenol133-53-9DCMXDecaseptOttacidePrinsylDixolHewsolDicloroxilenolPhenol, 2,4-dichloro-3,5-dimethyl-2,4-DICHLORO-3,5-XYLENOL
名称をさらに表示
2,4-ジクロロ-3,5-ジメチルフェノール2,4-ジクロロ-3,5-キシレノールジクロロキシレノール2,4-ジクロロ-m-キシレノールdxmcDICHLORO-m-XYLENOLTIMTEC-BB SBB005831
DicloroxilenoloDichlorxylenolumDichloroxylenolum3,5-Xylenol, 2,4-dichloro-DTXSID0041359NSC-97742,4-Dichloro-M,5-xylenol51AC49OLT7
データベース識別子
- CAS
133-53-9- PubChem CID
- 8621
- DTXSID
DTXSID0041359- ChEMBL
CHEMBL2104302- UNII
- 51AC49OLT7
- EC Number
- 205-109-9、682-356-2
- Nikkaji
- J5.587E
物性
構造計算による物性
- XLogP
- 3.6
- 極性表面積
- 20.2 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 1
- 回転可能結合数
- 0
- 重原子数
- 11
- 形式電荷
- 0
- 複雑度
- 140
実験および物理化学的性質
Chemical ClassesOther Uses -> Biocides/Disinfectants
CosmeticsDeodorant; Antimicrobial
Color/FormCRYSTALS FROM PETROLEUM ETHER
Solubility
IN WATER 1:5000
AT 15 °C IN 100 PARTS OF SOLVENT: 14 PARTS BENZENE; 15 PARTS TOLUENE; 73 PARTS ACETONE; 59 PARTS DIETHYL KETONE; 4 PARTS PETROLEUM ETHER; 10 PARTS CARBON TETRACHLORIDE; 25 PARTS CHLOROFORM
DecompositionSEE CHLORINATED PHENOLS. DANGEROUS; WHEN HEATED TO DECOMPOSITION, THEY EMIT HIGHLY TOXIC FUMES. /CHLORINATED PHENOLS/
Melting Point95-96 °C
Physical Description
Large Crystals
Solid; [Merck Index] White or cream colored crystalline powder; [MSDSonline]
Collision Cross Section135.4 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID0041359]
Other Experimental PropertiesSUBLIMES
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
Danger
H302 (93.8%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P305+P354+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 48 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Warning
H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]
危険有害性情報
Regulatory Information
Chemical: Phenol, 2,4-dichloro-3,5-dimethyl-
Phenol, 2,4-dichloro-3,5-dimethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Phenol, 2,4-dichloro-3,5-dimethyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
REACH registered substance: 2,4-dichloro-3,5-xylenol (EC: 205-109-9)
Phenol, 2,4-dichloro-3,5-dimethyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryAn irritant; [MSDSonline]
Hazard Classes and CategoriesAcute Tox. 4 (93.8%)
安全データ
- tsca
- TSCA listed
- ridadr
- 2430
- hs_code
- 2908190090
- risk_code
- 36/37/38
- 化審法
- (3)-989
- hazard_code
- Xi
- safety_code
- 37/39-26
化学と産業
用途と製造
Uses
Used as a bacteriostat (in soaps), mold inhibitor, and preservative; [Merck Index] Not produced in the US; [HSDB]
Using Disinfectants or Biocides [Category: Clean]
BACTERIOSTAT IN SOAPS; MOLD INHIBITOR & PRESERVATIVE
BACTERICIDE IN DISINFECTANT PRODUCTS (DISCONTINUED USE)
MEDICATION
U.S. Exports
(1977) No Data
(1979) No Data
U.S. Imports
(1977) No Data
(1979) No Data
U.S. Production
2020: 44,092 lb
(1977) NOT PRODUCED COMMERCIALLY IN US
(1979) NOT PRODUCED COMMERCIALLY IN US
Consumer UsesPreservative
Industry UsesPreservative
Methods of ManufacturingLESSER, GAD, BER 56, 963 (1923); JONES, J CHEM SOC 1941, 267; GEMMEL, MFG CHEMIST 23, 63 (1952).
Use ClassificationCosmetics -> Deodorant; Antimicrobial
General Manufacturing Information
Paint and Coating Manufacturing
Phenol, 2,4-dichloro-3,5-dimethyl-: ACTIVE
THE CHLORO-M-XYLENOLS (R= H) & (R= CL) HAVE ANTIINFLAMMATORY ACTIVITIES SUPERIOR TO THAT OF ASPIRIN & ARE FREE FROM ULCERATIVE SIDE-EFFECTS.
応用分野
説明2, 4-Dichloro-3, 5-Xylenol (DCMX), is a white to light yellow flake. DCMX is a secure and efficient antiseptic. It’s slightly soluble in water (20oC, 0.2g/L), very soluble in organic solvents such as alcohol, ether, ketone, etc., and dissolves in solutions of alkali hydroxides. It’s frequently used in industry fields such as personal care products such as hand-cleaning detergent, soap, dandruff control shampoo, and healthy products, such as film, glue water, oiled, textile, paper making, etc.
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