4-Chlorobenzylamine
4-Chlorobenzylamine structure
|
Common Name | 4-Chlorobenzylamine | ||
|---|---|---|---|---|
| CAS Number | 104-86-9 | Molecular Weight | 141.598 | |
| Density | 1.2±0.1 g/cm3 | Boiling Point | 216.6±15.0 °C at 760 mmHg | |
| Molecular Formula | C7H8ClN | Melting Point | N/A | |
| MSDS | Chinese USA | Flash Point | 90.6±0.0 °C | |
| Symbol |
GHS05, GHS07 |
Signal Word | Danger | |
Summary: 4-Chlorobenzylamine, also known as 4-aminobenzyl chloride, has a molecular formula of C7H8ClN and a molecular weight of 141.598. It appears as a nearly colorless, transparent liquid with a boiling point of 216.6±15.0 °C and a density of 1.2±0.1 g/cm3. For research-use only, not for medical or clinical usage.
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 4-Chlorobenzylamine |
|---|---|
| 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 | 216.6±15.0 °C at 760 mmHg |
| Molecular Formula | C7H8ClN |
| Molecular Weight | 141.598 |
| Flash Point | 90.6±0.0 °C |
| Exact Mass | 141.034531 |
| PSA | 26.02000 |
| LogP | 1.68 |
| Vapour Pressure | 0.1±0.4 mmHg at 25°C |
| Index of Refraction | 1.566 |
| InChIKey | YMVFJGSXZNNUDW-UHFFFAOYSA-N |
| SMILES | NCc1ccc(Cl)cc1 |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Symbol |
GHS05, GHS07 |
|---|---|
| Signal Word | Danger |
| Hazard Statements | H302 + H312-H314 |
| Precautionary Statements | P280-P305 + P351 + P338-P310 |
| Personal Protective Equipment | Eyeshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter |
| Hazard Codes | C:Corrosive; |
| Risk Phrases | R34 |
| Safety Phrases | S26-S36-S45-S36/37/39 |
| RIDADR | 2735 |
| WGK Germany | 3 |
| Packaging Group | III |
| Hazard Class | 8 |
| HS Code | 2921499090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 8 | |
|---|---|
| DownStream 8 | |
CAS#:623-03-0
CAS#:3848-36-0
CAS#:104-88-1
CAS#:619-56-7
CAS#:27032-10-6
CAS#:622-95-7
CAS#:131523-32-5
CAS#:873-76-7
CAS#:1049809-94-0![N-[(4-chlorophenyl)methyl]benzenesulfonamide structure](https://image.chemsrc.com/caspic/001/10504-97-9.png)
CAS#:10504-97-9
CAS#:98-11-3
CAS#:108-95-2
CAS#:33863-79-5
CAS#:106-44-5![4-chloro-N-[(4-chlorophenyl)methyl]aniline structure](https://image.chemsrc.com/caspic/259/13159-74-5.png)
CAS#:13159-74-5
CAS#:106-48-9This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2921499090 |
|---|---|
| Summary | 2921499090 other aromatic monoamines 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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S-benzylisothiourea derivatives as small-molecule inhibitors of indoleamine-2,3-dioxygenase.
Bioorg. Med. Chem. Lett. 20 , 5126-9, (2010) S-benzylisothiourea 3a was discovered by its ability to inhibit indoleamine-2,3-dioxygenase (IDO) in our screening program. Subsequent optimization of the initial hit 3a lead to the identification of ... |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: Discovery of Small Molecules to Inhibit Human Cytomegalovirus Nuclear Egress
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
Target: HCMV UL50
External Id: HMS1262
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Name: Acid dissociation constant of phenylethanolamine N-methyl-transferase (PNMT) inhibiti...
Source: ChEMBL
Target: Phenylethanolamine N-methyltransferase
External Id: CHEMBL759749
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Name: Inhibition of indoleamine-2,3-dioxygenase in human A431 cells assessed as inhibition ...
Source: ChEMBL
Target: Indoleamine 2,3-dioxygenase 1
External Id: CHEMBL1225450
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Name: Inhibition of indoleamine-2,3-dioxygenase
Source: ChEMBL
Target: Indoleamine 2,3-dioxygenase 1
External Id: CHEMBL1225449
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Name: Inhibition of phenylethanolamine N-methyltransferase(PNMT)activity
Source: ChEMBL
Target: Phenylethanolamine N-methyltransferase
External Id: CHEMBL821668
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Name: A screen for compounds that inhibit the activity of LtaS in Staphylococcus aureus
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
External Id: HMS979
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Name: A screen for compounds that inhibit viral RNA polymerase binding and polymerization a...
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
Target: Chain A, Poliovirus Polymerase With Gtp
External Id: HMS750
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| p-chlorobenzylamine |
| 4-Chlorobenzylamine |
| EINECS 203-245-3 |
| (4-Chlorophenyl)methanamine |
| MFCD00008121 |
| 1-(4-Chlorophenyl)methanamine |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What are the downstream products of 4-Chlorobenzylamine? |
| A: Related downstream products(CAS) of 4-Chlorobenzylamine: 1049809-94-0;10504-97-9;98-11-3;108-95-2;33863-79-5;106-44-5;13159-74-5;106-48-9. |
| Q: What are the upstream materials of 4-Chlorobenzylamine? |
| A: Related upstream materials(CAS) of 4-Chlorobenzylamine: 623-03-0;3848-36-0;104-88-1;619-56-7;27032-10-6;622-95-7;131523-32-5;873-76-7. |
| Q: What is the molecular formula of 4-Chlorobenzylamine? |
| A: Molecular formula of 4-Chlorobenzylamine is C7H8ClN. |
| Q: What is the LogP of 4-Chlorobenzylamine? |
| A: LogP of 4-Chlorobenzylamine is 1.68. |
| Q: What is the safety information for 4-Chlorobenzylamine? |
| A: Safety information for 4-Chlorobenzylamine: S26-S36-S45-S36/37/39. |
| Q: What English synonyms does 4-Chlorobenzylamine have? |
| A: English synonyms of 4-Chlorobenzylamine: p-chlorobenzylamine, 4-Chlorobenzylamine, EINECS 203-245-3, (4-Chlorophenyl)methanamine, MFCD00008121, 1-(4-Chlorophenyl)methanamine. |
| Q: What is the polar surface area (PSA) of 4-Chlorobenzylamine? |
| A: Polar surface area (PSA) of 4-Chlorobenzylamine is 26.02000. |
| Q: What is the InChIKey of 4-Chlorobenzylamine? |
| A: InChIKey of 4-Chlorobenzylamine is YMVFJGSXZNNUDW-UHFFFAOYSA-N. |
| Q: What is the SMILES notation of 4-Chlorobenzylamine? |
| A: SMILES notation of 4-Chlorobenzylamine is NCc1ccc(Cl)cc1. |
| Q: What is the molecular weight of 4-Chlorobenzylamine? |
| A: Molecular weight of 4-Chlorobenzylamine is 141.598. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |
| Dayang Chem (Hangzhou) Co., Ltd. |