1,3-Benzenediol,4-chloro-5-methyl
1,3-Benzenediol,4-chloro-5-methyl structure
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Common Name | 1,3-Benzenediol,4-chloro-5-methyl | ||
|---|---|---|---|---|
| CAS Number | 3446-05-7 | Molecular Weight | 158.58200 | |
| Density | 1.384g/cm3 | Boiling Point | 277.5ºC at 760mmHg | |
| Molecular Formula | C7H7ClO2 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 121.6ºC | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 4-chloro-5-methylbenzene-1,3-diol |
|---|---|
| Synonym | More Synonyms |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 1.384g/cm3 |
|---|---|
| Boiling Point | 277.5ºC at 760mmHg |
| Molecular Formula | C7H7ClO2 |
| Molecular Weight | 158.58200 |
| Flash Point | 121.6ºC |
| Exact Mass | 158.01300 |
| PSA | 40.46000 |
| LogP | 2.05960 |
| Index of Refraction | 1.61 |
| InChIKey | VYGLBTZLOQTMBG-UHFFFAOYSA-N |
| SMILES | Cc1cc(O)cc(O)c1Cl |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| HS Code | 2908199090 |
|---|
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~25%
1,3-Benzenediol... CAS#:3446-05-7 |
| Literature: Mori, Kenji; Sato, Kazuo Tetrahedron, 1982 , vol. 38, # 9 p. 1221 - 1225 |
|
~83%
1,3-Benzenediol... CAS#:3446-05-7 |
| Literature: Mahandru, M. Mohan; Tajbakhsh, Alireza Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1983 , # 2 p. 413 - 416 |
|
~%
1,3-Benzenediol... CAS#:3446-05-7 |
| Literature: Sala, Tony; Sargent, Melvyn V. Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1981 , p. 855 - 869 |
|
~%
1,3-Benzenediol... CAS#:3446-05-7 |
| Literature: Mahandru, M. Mohan; Tajbakhsh, Alireza Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1983 , # 2 p. 413 - 416 |
|
~%
1,3-Benzenediol... CAS#:3446-05-7 |
| Literature: Sundholm,E.G. Tetrahedron, 1978 , vol. 34, p. 577 - 586 |
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~%
1,3-Benzenediol... CAS#:3446-05-7 |
| Literature: Sala, Tony; Sargent, Melvyn V. Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1981 , p. 855 - 869 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 6 | |
|---|---|
| DownStream 0 | |
This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2908199090 |
|---|---|
| Summary | HS: 2908199090. derivatives of polyphenols or phenol-alcohols containing only halogen substituents and their salts. VAT:17.0%. tax rebate rate:9.0%. supervision conditions:None. MFN tariff:5.5%. general tariff:30.0% |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: Antifungal activity against Bipolaris leersiae assessed as inhibition of conidial ger...
Source: ChEMBL
Target: Bipolaris leersiae
External Id: CHEMBL996394
|
|
Name: Antifungal activity against Bipolaris leersiae assessed as inhibition of conidial ger...
Source: ChEMBL
Target: Bipolaris leersiae
External Id: CHEMBL997259
|
|
Name: Antifungal activity against Bipolaris leersiae assessed as inhibition of conidial ger...
Source: ChEMBL
Target: Bipolaris leersiae
External Id: CHEMBL997260
|
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 4-Chlor-5-methyl-resorcin |
| 4-chloroorcinol |
| 2-chloro-3,5-dihydroxytoluene |
| 4-chloro-5-methyl-resorcinol |
| 4-CHLORO-5-METHYL-1,3-BENZENEDIOL |
| Resorcinol,4-chloro-5-methyl |
| 2-Chlor-3.5-dihydroxy-toluol |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the polar surface area (PSA) of 4-chloro-5-methylbenzene-1,3-diol? |
| A: Polar surface area (PSA) of 4-chloro-5-methylbenzene-1,3-diol is 40.46000. |
| Q: What are the upstream materials of 4-chloro-5-methylbenzene-1,3-diol? |
| A: Related upstream materials(CAS) of 4-chloro-5-methylbenzene-1,3-diol: 83324-60-1;57074-23-4;3187-58-4;2524-37-0;504-15-4;711-47-7. |
| Q: What is the molecular formula of 4-chloro-5-methylbenzene-1,3-diol? |
| A: Molecular formula of 4-chloro-5-methylbenzene-1,3-diol is C7H7ClO2. |
| Q: What is the CAS number of 4-chloro-5-methylbenzene-1,3-diol? |
| A: CAS number of 4-chloro-5-methylbenzene-1,3-diol is 3446-05-7. |
| Q: What is the Chinese name of 3446-05-7? |
| A: Chinese name of 3446-05-7 is 3446-05-7. |
| Q: What English synonyms does 4-chloro-5-methylbenzene-1,3-diol have? |
| A: English synonyms of 4-chloro-5-methylbenzene-1,3-diol: 4-Chlor-5-methyl-resorcin, 4-chloroorcinol, 2-chloro-3,5-dihydroxytoluene, 4-chloro-5-methyl-resorcinol, 4-CHLORO-5-METHYL-1,3-BENZENEDIOL, Resorcinol,4-chloro-5-methyl, 2-Chlor-3.5-dihydroxy-toluol. |
| Q: What is the InChIKey of 4-chloro-5-methylbenzene-1,3-diol? |
| A: InChIKey of 4-chloro-5-methylbenzene-1,3-diol is VYGLBTZLOQTMBG-UHFFFAOYSA-N. |
| Q: What is the LogP of 4-chloro-5-methylbenzene-1,3-diol? |
| A: LogP of 4-chloro-5-methylbenzene-1,3-diol is 2.05960. |
| Q: What is the boiling point of 4-chloro-5-methylbenzene-1,3-diol? |
| A: Boiling point of 4-chloro-5-methylbenzene-1,3-diol is 277.5ºC at 760mmHg. |
| Q: What is the SMILES notation of 4-chloro-5-methylbenzene-1,3-diol? |
| A: SMILES notation of 4-chloro-5-methylbenzene-1,3-diol is Cc1cc(O)cc(O)c1Cl. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Dayang Chem (Hangzhou) Co., Ltd. |