4-브로모벤질아민
4-브로모벤질아민 · (4-Bromophenyl)methanamine · P-BROMOBENZYLAMINE · OfBRETYLIUM · ThebretyliuM · AURORA KA-7547 · 4-BROMOBENZYLAMINE · RARECHEM AL BW 0025
식별자 및 물리적 특성
| CAS No. | 3959-07-7 |
|---|---|
| 분자식 | C7H8BrN |
| 평균 분자량 | 186.05 g/mol |
| 단동위원소 질량 | 184.98401136 g/mol |
| SMILES | NCc1ccc(Br)cc1 |
| InChIKey | XRNVSPDQTPVECU-UHFFFAOYSA-N |
| PubChem CID | 77571 |
| ChEMBL | CHEMBL138621 |
| EC No. | 223-559-4 |
| DTXSID | DTXSID70192704 |
| 현지명 | 4-브로모벤질아민 |
화학 및 물리적 성질
| XLogP | 1.9 |
|---|---|
| 극성 표면적 | 26 |
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 1 |
| 회전 가능 결합 수 | 1 |
| 무거운 원자 수 | 9 |
| 형식 전하 | 0 |
| 복잡도 | 77 |
| 녹는점 | 25 °C(lit.) |
| 끓는 점 | 110-112 °C30 mm Hg(lit.) |
| 밀도 | 1.473 g/mL at 25 °C(lit.) |
| 굴절률 | 1.5855-1.5875 |
| 인화점 | >230 °F |
| 저장 조건 | under inert gas (nitrogen or Argon) at 2–8 °C |
| 물리적 상태 | 액체 |
| pKa(산도 계수) | 8.85±0.10(Predicted) |
| 색상 | 무색의 |
| InChI | InChI=1S/C7H8BrN/c8-7-3-1-6(5-9)2-4-7/h1-4H,5,9H2 |
| InChIKey | XRNVSPDQTPVECU-UHFFFAOYSA-N |
| SMILES | C1(CN)=CC=C(Br)C=C1 |
| NIST | p-Bromobenzylamine(3959-07-7) |
화학적 성질
clear colorless to light yellow liquid
안전 및 규제
| GHS 분류 | DangerH314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 46 reports by companies from 4 notifications to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Skin Corr. 1B (100%) |
| 수질 위해 등급(WGK) | 3 |
| 운송 번호(UN) | UN 3259 8/PG 2 |
| 관세 코드 | 29214990 |
| 위험 문구(R) | 34-21/22 |
| 위험 표시 | C |
| 안전 문구(S) | 26-28-36/37/39-45 |
| 포장분류 | Ⅱ |
| 위험 등급 | 8Skin Corr. 1B |
| 저장 분류 | 8A - Combustible corrosive hazardous materials |
용도
용도
4-Bromobenzylamine (p-Bromobenzylamine) may be used to synthesize 7-[(p-bromobenzyl)ureido]-7,8-dihydro-α-bisabolene.It may be used to synthesize the following 4-biphenylmethylamine derivatives:(4′-fluoro-4-biphenyl)methylamine(4′-methoxy-4-biphenyl)methylamine(2′-methoxy-4-biphenyl)methylamine(3′-cyano-4-biphenyl)methylamine
일반 설명
4-Bromobenzylamine (BBA), also known as p-bromobenzylamine, is an aryl bromide. The selective formation of nitrile or imine from BBA in the presence of red copper has been reported. The formal [4+4] reaction of BBA to form 2,6,9-triazabicyclo[3.3.1]nonane derivatives has been investigated.