Acetyl bromide

ACETYL BROMIDE-2-13C · Acetyl-2-13C bromide · Acetyl -2-13C bromide · acetyl-2-13C bromide. 99 atom % 13C

https://huagongshe.com/ja/chemical/10482

識別子と物理属性

CAS No.	506-96-7
分子式	C2H3BrO
平均分子量	122.95 g/mol
単同位体質量	121.93672682 g/mol
SMILES	CC(=O)Br
InChIKey	FXXACINHVKSMDR-UHFFFAOYSA-N
PubChem CID	10482
EC No.	208-061-7
DTXSID	DTXSID5060140

化学・物理的性質

XLogP	0.8
極性表面積	17.1
水素結合供与体数	0
水素結合受容体数	1
回転可能結合数	0
重原子数	4
形式電荷	0
複雑度	33
物質分類	Toxic Gases & Vapors -> Acid HalidesCorrosives
SpringerMaterials Properties	Schoenflies notation
臭い	Sharp unpleasant odorPungent odor
密度	1.66 at 60.8 °F (USCG, 1999) - Denser than waterwill sinkDensity: 1.52 at 9 °CSaturated liquid density: 103.599 lb/cu ft at 70 °FVapor specific gravity: 4.24Saturated vapor density: 0.04488 lb/cu ft at 70 °FRelative density (water = 1): 1.51.66 @ 20°C1.677 g/mL at 25 °C
Color/Form	Fuming liquidColorless fuming liquid
溶解度	Violently decomposed by water or alcoholMiscible with ether, chloroform, benzeneSoluble in ether, chloroform, benzeneMiscible with ether, benzene, chloroformsoluble in acetoneSolubility in water: reaction
Corrosivity	CorrosiveCorrosive to metals and tissue
引火点	110 °C (230 °F) - closed cup75 °C>230 °F
沸点	169 °F at 760 mmHg (USCG, 1999)74 °C76 °C76.7 °C @760 [mm Hg]75-77 °C(lit.)
Decomposition	Hazardous decomposition products formed under fire conditions - Carbon oxides, hydrogen bromide gas.When heated to decomposition it emits highly corrosive and toxic fumes of carbonyl bromide and bromine.Violently decomposed by water, or by alcohol.
融点	-141.7 °F (USCG, 1999)-95.5 °C-96 °C-96.5 °C−96 °C(lit.)
蒸気密度	Relative vapor density (air = 1): 4.2
屈折率	n20/D 1.45(lit.)
InChI	1S/C2H3BrO/c1-2(3)4/h1H3/i1+1
InChIKey	FXXACINHVKSMDR-OUBTZVSYSA-N
SMILES	[13CH3]C(Br)=O

安全性と法規制

GHS 分類	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 51 reports by companies from 8 notifications to the ECHA C&L Inventory.
Hazards Identification	Water-reactive material (WR)
規制情報	Chemical: Acetyl bromideStatus: Active Update: 06-07-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/16238Acetyl bromide: Does not have an individual approval but may be used under an appropriate group standardThe New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)
輸送ラベル（DOT）	Corrosive
火災危険	Special Hazards of Combustion Products: Toxic and irritating hydrogen bromide fumes may form in fires.· Combustible material: may burn but does not ignite readily.Combustible. Gives off irritating or toxic fumes (or gases) in a fire.
火災の可能性	This chemical is a combustible liquid, but does not ignite readily.
健康有害性	Inhalation produces primary irritation of the respiratory tractsymptoms of lung damage may be delayed. Contact with liquid produces primary irritation of eyes and severe skin damagedelayed blistering is not uncommon. INGESTION: Sore throat, abdominal pain, and vomiting. (USCG, 1999)· TOXIC and/or CORROSIVEinhalation, ingestion or contact (skin, eyes) with vapors, dusts or substance may cause severe injury, burns or death.
有害性の概要	Skin contact can cause blistersInhalation can cause acute pneumonitis[CAMEO] See the Process, Toxic Gas from Spilling Chemical in Water.
輸送番号・ガイド（DOT）	1716 156
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