HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 3770848Generated: October 23, 2026
(4-Bromo-2-fluorophenyl)methanamine
(4-BroMo-2-fluorophenyl)MethanaMine · MINA-002 · TIMTEC-BB SBB005778 · RARECHEM AL BW 0772 · 4-Bromo-2-fluorobenzylamine · 2-FLUORO-4-BROMOBENZYL AMINE · 4-Bromo-2-fluorobenzylamine,99% · 2-Fluoro-4-Bromobenzylamine HCl
https://huagongshe.com/en/chemical/3770848
Identifiers & Physical Properties
| CAS No. | 112734-22-2 |
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| Molecular formula | C7H7BrFN |
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| Average molar mass | 204.04 g/mol |
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| Monoisotopic mass | 202.97458954 g/mol |
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| SMILES | NCc1ccc(Br)cc1F |
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| InChIKey | RLTFBWCBGIZCDQ-UHFFFAOYSA-N |
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| PubChem CID | 3770848 |
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| EC No. | 642-674-4 |
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| DTXSID | DTXSID00396192 |
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Chemical & Physical Properties
| XLogP | 1.6 |
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| Topological polar surface area | 26 |
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| Hydrogen bond donors | 1 |
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| Hydrogen bond acceptors | 2 |
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| Rotatable bonds | 1 |
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| Heavy atoms | 10 |
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| Formal charge | 0 |
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| Complexity | 110 |
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| Boiling point | 244.5±25.0 °C(Predicted) |
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| Density | 1.571±0.06 g/cm3(Predicted) |
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| Storage conditions | under inert gas (nitrogen or Argon) at 2–8 °C |
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| pKa (acidity coefficient) | 8.43±0.10(Predicted) |
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| Physical state | Liquid |
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| Specific gravity | 1.58 |
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| Color | Clear colorless to slightly yellow |
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| InChI | InChI=1S/C7H7BrFN/c8-6-2-1-5(4-10)7(9)3-6/h1-3H,4,10H2 |
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| InChIKey | RLTFBWCBGIZCDQ-UHFFFAOYSA-N |
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| SMILES | C1(CN)=CC=C(Br)C=C1F |
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| CAS DataBase Reference | 112734-22-2(CAS DataBase Reference) |
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| UNSPSC Code | 12352116 |
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| GHS pictogram | GHS05,GHS07 |
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| Signal word | Danger |
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| GHS hazard statements | H302+H312+H332-H314 |
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| GHS precautionary statements | P501-P261-P270-P271-P264-P280-P362+P364-P303+P361+P353-P301+P330+P331-P301+P312+P330-P304+P340+P310-P305+P351+P338+P310-P405 |
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| Hazard symbols | C,Xi |
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| Risk statements (R) | 34-21/22-36 |
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| Safety statements (S) | 45-36/37/39-26 |
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| UN transport number | 2735 |
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| Water hazard class (WGK) | WGK 3 |
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| Hazard Note | Irritant |
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| Hazard class | 8Eye Irrit. 2 |
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| Packing group | Ⅲ |
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| Customs code | 29214900 |
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| Storage class | 11 - Combustible Solids |
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| Limited quantities | 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid) |
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| Excepted quantities | Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L) |
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Safety & Regulations
| GHS classification | DangerH302 (75%): Harmful if swallowed [Warning Acute toxicity, oral]P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P321, P330, P337+P317, P362+P364, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 4 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Hazard Classes and Categories | Acute Tox. 4 (75%) |
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| Water hazard class (WGK) | WGK 3 |
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| UN transport number | 2735 |
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| Customs code | 29214900 |
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| Risk statements (R) | 34-21/22-36 |
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| Signal word | Danger |
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| GHS pictogram | GHS05,GHS07 |
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| Hazard symbols | C,Xi |
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| hazard_note | Irritant |
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| Safety statements (S) | 45-36/37/39-26 |
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| Hazard class | 8Eye Irrit. 2 |
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| Storage class | 11 - Combustible Solids |
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| Packing group | Ⅲ |
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| GHS hazard statements | H302+H312+H332-H314 |
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| Limited quantities | 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid) |
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| Excepted quantities | Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L) |
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| GHS precautionary statements | P501-P261-P270-P271-P264-P280-P362+P364-P303+P361+P353-P301+P330+P331-P301+P312+P330-P304+P340+P310-P305+P351+P338+P310-P405 |
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