Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
O-Benzylhydroxylamine
BENZYLOXYAMINE HYDROCHLORIDE · BENZYLOXYAMINE · O-BENZYLHYDROXYLAMINE HCL · Hydroxylamine, O-(phenylmethyl)- · Snr 1635 · AKOS B022277 · AURORA KA-7528 · AURORA KA-2549
식별자 및 물리적 특성
| CAS No. | 622-33-3 |
|---|---|
| 분자식 | C7H9NO |
| 평균 분자량 | 123.15 g/mol |
| 단동위원소 질량 | 123.06841391 g/mol |
| SMILES | NOCc1ccccc1 |
| InChIKey | XYEOALKITRFCJJ-UHFFFAOYSA-N |
| PubChem CID | 102313 |
| ChEMBL | CHEMBL443652 |
| EC No. | 612-969-2 |
| DTXSID | DTXSID8073213 |
화학 및 물리적 성질
| XLogP | 1.2 |
|---|---|
| 극성 표면적 | 35.3 |
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 2 |
| 회전 가능 결합 수 | 2 |
| 무거운 원자 수 | 9 |
| 형식 전하 | 0 |
| 복잡도 | 69 |
| Physical Description | Colorless to pale yellow liquid[MSDSonline] |
| 녹는점 | 238 °C (subl.)(lit.) |
| 끓는 점 | 110-112 °C (20 mmHg) |
| 밀도 | 1,058 g/cm3 |
| 증기압 | 2.09 hPa (58 °C) |
| 굴절률 | 1.5410 |
| 인화점 | 118-119°C/30mm |
| 저장 조건 | Keep in dark place,Sealed in dry,Store in freezer, under -20°C |
| 용해도 | 디메틸설폭사이드와 메탄올에 용해됩니다. |
| pKa(산도 계수) | 4.70±0.70(Predicted) |
| 물리적 상태 | 액체 |
| 색상 | 무색의 |
| pH | 8 (47g/l, H2O) |
| BRN | 1906691 |
| InChI | InChI=1S/C7H9NO/c8-9-6-7-4-2-1-3-5-7/h1-5H,6,8H2 |
| InChIKey | XYEOALKITRFCJJ-UHFFFAOYSA-N |
| SMILES | NOCC1=CC=CC=C1 |
| EPA | Hydroxylamine, O-(phenylmethyl)- (622-33-3) |
화학적 성질
Clear colorless liquid
안전 및 규제
| GHS 분류 | DangerH301 (86.7%): Toxic if swallowed [Danger Acute toxicity, oral]H314 (13.3%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]H315 (86.7%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (86.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (88.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P260, P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| 유해성 요약 | An irritant[MSDSonline] |
| Hazard Classes and Categories | Acute Tox. 3 (86.7%)Skin Corr. 1B (13.3%)Skin Irrit. 2 (86.7%)Eye Irrit. 2 (86.7%)STOT SE 3 (88.9%) |
| 수질 위해 등급(WGK) | 3 |
| RTECS 번호 | NC3040000 |
| 운송 번호(UN) | 2735 |
| 관세 코드 | 2928 00 90 |
| 위험 문구(R) | 36/37/38-25 |
| 위험 표시 | Xi,T |
| 안전 문구(S) | 22-24/25-45-26 |
| 포장분류 | Ⅱ |
| 위험 등급 | 8Acute Tox. 3 OralAquatic Chronic 3Eye Dam. 1Skin Corr. 1BSTOT SE 3 |
| F 고인화성물질 | 3 |
| 자연 발화 온도 | 260 °C DIN 51794 |
| 저장 분류 | 6.1C - Combustible, acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
용도
용도
O-benzylhydroxylamine used in the synthesis of alfa- hydroxybenzylamines from alfa-hydroxyketones. It is also involved in the preparation of hydroxylamines and hydroxyamates.