Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
Tribromoacetaldehyde
Tribromo · BROMAL · Bromal >BROMAL, REDIST. · Tribromoethanal · BroMal, 96.0%(GC) · tribromo-acetaldehyd · TRIBROMOACETALDEHYDE · TRIBROMOACETYLALDEHYDE
식별자 및 물리적 특성
| CAS No. | 115-17-3 |
|---|---|
| 분자식 | C2HBr3O |
| 평균 분자량 | 280.74 g/mol |
| 단동위원소 질량 | 277.75775095 g/mol |
| SMILES | O=CC(Br)(Br)Br |
| InChIKey | YTGSYRVSBPFKMQ-UHFFFAOYSA-N |
| PubChem CID | 8256 |
| ChEMBL | CHEMBL3189061 |
| EC No. | 204-067-9 |
| DTXSID | DTXSID1021667 |
화학 및 물리적 성질
| XLogP | 2.1 |
|---|---|
| 극성 표면적 | 17.1 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 1 |
| 회전 가능 결합 수 | 0 |
| 무거운 원자 수 | 6 |
| 형식 전하 | 0 |
| 복잡도 | 54.3 |
| 물질 분류 | Other Classes -> Aldehydes |
| SpringerMaterials Properties | Boiling point |
| 밀도 | 2.662.665 g/mL at 25 °C(lit.) |
| Color/Form | YELLOWISH, OILY LIQUID |
| 용해도 | SOL IN WATER, ALCOHOL, ETHERSOL IN ACETONE |
| 끓는 점 | ABOUT 174 °C WITH DECOMP174 °C(lit.) |
| 녹는점 | CRYSTALSODOR OF CHLORALPUNGENT TASTEMP: 53.5 °CDIPOLE MOMENT IN BENZENE: 2.56 DDELIQUESCENT /HYDRATE/-57.5 °C |
| 증기압 | 1.52 [mmHg] |
| 굴절률 | INDEX OF REFRACTION: 1.5939 @ 20 °C/Dn20/D 1.584(lit.) |
| Physical Description | Yellowish liquid[Merck Index] Orange liquid[MSDSonline] |
| Other Experimental Properties | FORMS WITH WATER BROMAL HYDRATE WHICH IS SOLID @ TEMP BELOW 50 °CMONOCLINIC PRISMS (OBTAINED FROM WATER CRYSTALLIZING WITH 1 MOLECULE OF SOLVENT/MOLECULE COMPD) |
| 인화점 | 150 °F |
| 저장 조건 | Refrigerator (+4°C) |
| 용해도 | 물에 용해됨 |
| Merck | 14,1383 |
| BRN | 1098614 |
| 유전율 | 7.6(21℃) |
| InChI | InChI=1S/C2HBr3O/c3-2(4,5)1-6/h1H |
| InChIKey | YTGSYRVSBPFKMQ-UHFFFAOYSA-N |
| SMILES | C(=O)C(Br)(Br)Br |
| NIST | Acetaldehyde, tribromo-(115-17-3) |
| EPA | Acetaldehyde, tribromo- (115-17-3) |
화학적 성질
Oily, yellowish liquid. Soluble in water, alcohol, or ether. Combustible.
안전 및 규제
| GHS 분류 | DangerH301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]P260, P262, P264, P270, P280, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P361+P364, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 규제 정보 | Tribromoacetaldehyde: Does not have an individual approval but may be used under an appropriate group standard |
| 유해성 요약 | Causes convulsions in lethal-dose feeding studies of mice and rats[RTECS] A corrosive substance that can cause injury to the skin, eyes, and respiratory tractA lachrymatorEffects in lethal-dose animal studies include convulsions[MSDSonline] |
| Hazard Classes and Categories | Acute Tox. 3 (100%) |
| 유해 작용 | Neurotoxin - Other CNS neurotoxin |
| Human Toxicity Excerpts | IN PATIENTS SUFFERING FROM CHRONIC INTOXICATION, GASTRITIS IS COMMON & SKIN ERUPTIONS MAY DEVELOP. PARENCHYMATOUS RENAL INJURY MAY ALSO OCCUR. /CHLORAL HYDRATE/IRRITANT ACTIONS OF CHLORAL HYDRATE GIVE RISE TO UNPLEASANT TASTE...NAUSEA, OCCASIONAL VOMITING, & FLATULENCE. ... UNDESIRABLE CNS EFFECTS INCL LIGHT-HEADEDNESS, MALAISE, ATAXIA, & NIGHTMARES. /CHLORAL HYDRATE/ |
| 수질 위해 등급(WGK) | 3 |
| TSCA 등재 상태 | TSCA listed |
| RTECS 번호 | AB3237500 |
| 운송 번호(UN) | UN 2927 6.1/PG 1 |
| 독성 | guinea pig,LD50,skin,10uL/kg (0.01mL/kg),National Technical Information Service. Vol. OTS0555937, |
| 관세 코드 | 29130000 |
| 위험 문구(R) | 25-27-34 |
| 위험 표시 | T+,Xi,T |
용도
용도
Organic synthesis.