Bromoacetonitrile

2-Bromoacetonitrile · HALOACETONITRILES · BROMOACETONITRILE · BROMOACETONIFRILE · bromo-acetonitril · bromomethylcyanide · Brommoacetonitrile · Cyanomethyl bromide

https://huagongshe.com/ko/chemical/11534

식별자 및 물리적 특성

CAS No.	590-17-0
분자식	C2H2BrN
평균 분자량	119.95 g/mol
단동위원소 질량	118.93706 g/mol
SMILES	N#CCBr
InChIKey	REXUYBKPWIPONM-UHFFFAOYSA-N
PubChem CID	11534
ChEMBL	CHEMBL2139477
EC No.	209-672-1
DTXSID	DTXSID2021496

화학 및 물리적 성질

XLogP	0.8
극성 표면적	23.8
수소 결합 공여자 수	0
수소 결합 수용자 수	1
회전 가능 결합 수	0
무거운 원자 수	4
형식 전하	0
복잡도	41
밀도	1.722 (NTP, 1992) - Denser than waterwill sink1.722 g/mL at 25 °C (lit.)
Color/Form	Pale yellow to light amber liquid
용해도	50 to 100 mg/mL at 70.7 °F (NTP, 1992)In water, 50-100 mg/mL at 21.5 °C물에 용해 50-100g/L
인화점	greater than 200 °F (NTP, 1992)Flash Point > 200 °F>230 °F
끓는 점	302 to 304 °F at 752 mmHg (NTP, 1992)150-151 °C at 752.0 mm Hg60-62 °C/24 mmHg (lit.)
Decomposition	When heated to decomposition it emits toxic vapors of /oxides of nitrogen and bromines/.
증기압	VP: 24 mm Hg at 60-62 °C
굴절률	Index of refraction = 1.4800 at 20 °Cn20/D 1.479(lit.)
Physical Description	Bromoacetonitrile is a pale yellow to light amber liquid. (NTP, 1992)Pale yellow to light amber liquid[CAMEO] Yellow, oily liquid[MSDSonline]
Kovats Retention Index	725
Other Experimental Properties	May be sensitive to prolonged exposure to air and lightis incompatible with strong acids, strong bases, strong oxidizing agents and strong reducing agents
저장 조건	Keep in dark place,Sealed in dry,2-8°C
물리적 상태	액체
비중	1.80
색상	무색~황색으로 투명함
용해도	물에 불용성.
BRN	956569
헨리 상수	2.8×100 mol/(m3Pa) at 25℃, HSDB (2015)
InChI	1S/C2H2BrN/c3-1-2-4/h1H2
InChIKey	REXUYBKPWIPONM-UHFFFAOYSA-N
SMILES	BrCC#N
NIST	Acetonitrile, bromo-(590-17-0)
EPA	Bromoacetonitrile (590-17-0)

화학적 성질

clear colourless to yellowish liquid

안전 및 규제

GHS 분류	DangerH301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]H311 (98.1%): Toxic in contact with skin [Danger Acute toxicity, dermal]H314 (11.3%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]H315 (79.2%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (83%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H330 (11.3%): Fatal if inhaled [Danger Acute toxicity, inhalation]H331 (88.7%): Toxic if inhaled [Danger Acute toxicity, inhalation]H335 (79.2%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P260, P261, P262, P264, P264+P265, P270, P271, P280, P284, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P320, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 53 reports by companies from 12 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.
규제 정보	Bromoacetonitrile: Does not have an individual approval but may be used under an appropriate group standard
운송 라벨(DOT)	Poison
화재 위험	This chemical is probably combustible. (NTP, 1992)
건강 유해성	SYMPTOMS: Symptoms of exposure to this compound include irritation of the eyes, mucous membranes and upper respiratory tract, burning sensation, coughing, wheezing, laryngitis, shortness of breath, headache, nausea and vomiting. It is a lachrymator. It can also cause corrosion.ACUTE/CHRONIC HAZARDS: This compound is harmful by ingestion, inhalation or skin absorption. It is an irritant of the eyes, mucous membranes and upper respiratory tract. It is corrosive. It is also a lachrymator. When heated to decomposition it emits toxic fumes of carbon monoxide, carbon dioxide, nitrogen oxides and hydrogen bromide gas. (NTP, 1992)

용도

Bromoacetonitrile was used in the synthesis of 1-cyanomethyl-1,1-dimethylhydrazinium bromide. It is used as an alkalyting agent for the nitrogen phosphorus detector.

일반 설명

Pale yellow to light amber liquid.