3-Chloro-2-methylaniline
3-Chloro-2-methylaniline structure
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Common Name | 3-Chloro-2-methylaniline | ||
|---|---|---|---|---|
| CAS Number | 87-60-5 | Molecular Weight | 141.598 | |
| Density | 1.2±0.1 g/cm3 | Boiling Point | 241.8±20.0 °C at 760 mmHg | |
| Molecular Formula | C7H8ClN | Melting Point | 2 °C(lit.) | |
| MSDS | USA | Flash Point | 100.0±21.8 °C | |
| Symbol |
GHS05, GHS07, GHS08 |
Signal Word | Danger | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 3-Chloro-2-methylaniline |
|---|---|
| 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 | 1.2±0.1 g/cm3 |
|---|---|
| Boiling Point | 241.8±20.0 °C at 760 mmHg |
| Melting Point | 2 °C(lit.) |
| Molecular Formula | C7H8ClN |
| Molecular Weight | 141.598 |
| Flash Point | 100.0±21.8 °C |
| Exact Mass | 141.034531 |
| PSA | 26.02000 |
| LogP | 2.27 |
| Vapour Pressure | 0.0±0.5 mmHg at 25°C |
| Index of Refraction | 1.585 |
| InChIKey | ZUVPLKVDZNDZCM-UHFFFAOYSA-N |
| SMILES | Cc1c(N)cccc1Cl |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
This table summarizes toxicological test data, acute & chronic toxicity and ecological hazard parameters for this chemical.
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATAACUTE TOXICITY DATA
MUTATION DATA
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This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Symbol |
GHS05, GHS07, GHS08 |
|---|---|
| Signal Word | Danger |
| Hazard Statements | H302-H314-H334 |
| Precautionary Statements | P261-P280-P305 + P351 + P338-P310 |
| Personal Protective Equipment | Faceshields;full-face respirator (US);Gloves;Goggles;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter |
| Hazard Codes | Xn:Harmful |
| Risk Phrases | R22;R36/37/38 |
| Safety Phrases | S26-S36/37/39-S45-S61-S37/39 |
| RIDADR | UN 3429 6.1/PG 3 |
| WGK Germany | 2 |
| RTECS | XU4760000 |
| Packaging Group | III |
| Hazard Class | 6.1 |
| HS Code | 2921430090 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 0 | |
|---|---|
| DownStream 10 | |
CAS#:51123-59-2
CAS#:54454-12-5
CAS#:500346-26-9
CAS#:3260-88-6
CAS#:41456-52-4
CAS#:3260-89-7
CAS#:42048-11-3
CAS#:443-83-4
CAS#:40397-90-8
CAS#:405923-50-4This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2921430090 |
|---|---|
| Summary | HS:2921430090 toluidines and their derivatives; salts thereof VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0% |
This table lists relevant public references with title, journal and publication metadata for this compound.
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Validated chromatographic methods for simultaneous determination of tolfenamic acid and its major impurities.
J. Chromatogr. Sci. 53 , 484-91, (2015) Two accurate, selective and precise chromatographic methods, namely thin-layer chromatography (TLC)-densitometric method and reversed phase high-performance liquid chromatography (RP-HPLC) method, wer... |
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Degradation of 2-methylaniline and chlorinated isomers of 2-methylaniline by Rhodococcus rhodochrous strain CTM.
J. Gen. Microbiol. 137(8) , 2033-9, (1991) Rhodococcus rhodochrous strain CTM co-metabolized 2-methylaniline and some of its chlorinated isomers in the presence of ethanol as additional carbon source. Degradation of 2-methylaniline proceeded v... |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: Luminescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: mu-type opioid receptor isoform MOR-1 [Homo sapiens]
External Id: OPRM1-OPRD1_AG_LUMI_1536_1X%ACT PRUN
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Name: Fluorescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_AG_FLUO8_1536_1X%ACT PRUN
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Name: Cytochrome P450 Family 1 Subfamily A Member 2 (CYP1A2) small molecule antagonists: lu...
Source: 824
External Id: CYP273
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Name: Fluorescence-based cell-based primary high throughput screening assay to identify pos...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_PAM_FLUO8_1536_1X%ACT PRUN
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Name: Fluorescence polarization-based biochemical high throughput primary assay to identify...
Source: The Scripps Research Institute Molecular Screening Center
Target: RecName: Full=Sialate O-acetylesterase; AltName: Full=H-Lse; AltName: Full=Sialic acid-specific 9-O-acetylesterase; Flags: Precursor [Homo sapiens]
External Id: SIAE_INH_FP_1536_1X%INH PRUN
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Name: p53 small molecule agonists, cell-based qHTS assay: qHTS cell viability counter scree...
Source: 824
Target: N/A
External Id: P53600
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Name: p53 small molecule agonists, cell-based qHTS assay with rat liver microsomes: qHTS ce...
Source: 824
Target: N/A
External Id: P53MS958
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Name: p53 small molecule agonists, cell-based qHTS assay with rat liver microsomes: Summary
Source: 824
External Id: P53MS482
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Name: p53 small molecule agonists, cell-based qHTS assay with human liver microsomes
Source: 824
Target: tumor suppressor p53 [Homo sapiens]
External Id: P53MS233
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 3-chloro-o-toluidin |
| MFCD00007766 |
| scarlettrbase |
| 3-Chloro-o-toluidine |
| 3-Chloro-2-methylbenzenamine |
| ZR CG B1 |
| EINECS 201-756-6 |
| 3-Chlor-2-toluidin |
| 3-Chlor-o-toluidin |
| 6COT |
| 3-Chloro-2-methylaniline |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the CAS number of 3-Chloro-2-methylaniline? |
| A: CAS number of 3-Chloro-2-methylaniline is 87-60-5. |
| Q: What is the SMILES notation of 3-Chloro-2-methylaniline? |
| A: SMILES notation of 3-Chloro-2-methylaniline is Cc1c(N)cccc1Cl. |
| Q: What is the molecular formula of 3-Chloro-2-methylaniline? |
| A: Molecular formula of 3-Chloro-2-methylaniline is C7H8ClN. |
| Q: What is the polar surface area (PSA) of 3-Chloro-2-methylaniline? |
| A: Polar surface area (PSA) of 3-Chloro-2-methylaniline is 26.02000. |
| Q: What is the LogP of 3-Chloro-2-methylaniline? |
| A: LogP of 3-Chloro-2-methylaniline is 2.27. |
| Q: What are the downstream products of 3-Chloro-2-methylaniline? |
| A: Related downstream products(CAS) of 3-Chloro-2-methylaniline: 51123-59-2;54454-12-5;500346-26-9;3260-88-6;41456-52-4;3260-89-7;42048-11-3;443-83-4;40397-90-8;405923-50-4. |
| Q: What is the InChIKey of 3-Chloro-2-methylaniline? |
| A: InChIKey of 3-Chloro-2-methylaniline is ZUVPLKVDZNDZCM-UHFFFAOYSA-N. |
| Q: What is the English name of 3-Chloro-2-methylaniline? |
| A: The English name of 3-Chloro-2-methylaniline is 3-Chloro-2-methylaniline. |
| Q: What is the melting point of 3-Chloro-2-methylaniline? |
| A: Melting point of 3-Chloro-2-methylaniline is 2 °C(lit.). |
| Q: What is the safety information for 3-Chloro-2-methylaniline? |
| A: Safety information for 3-Chloro-2-methylaniline: S26-S36/37/39-S45-S61-S37/39. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Top Intermediates Co., Ltd. |
| Shanghai Nianxing Industrial Co., Ltd |
| Dayang Chem (Hangzhou) Co., Ltd. |
| Henan Tianfu Chemical Co., Ltd. |