2,3-ジブロモチオフェン

2,3-ジブロモチオフェン · S0513 · NSC 99003 · AKOS 91257 · 2,3-Dibromthiophen · BUTTPARK 146\50-38 · 2,3-DIBROMOTHIOPHENE · 2,3-Dibromothiophene>2,3-Dibromothiophene 98%

https://huagongshe.com/ja/chemical/76590

識別子と物理属性

CAS No.	3140-93-0
分子式	C4H2Br2S
平均分子量	241.93 g/mol
単同位体質量	239.8244 g/mol
SMILES	Brc1ccsc1Br
InChIKey	ATRJNSFQBYKFSM-UHFFFAOYSA-N
PubChem CID	76590
EC No.	221-542-6
DTXSID	DTXSID80185324
現地名	2,3-ジブロモチオフェン

化学・物理的性質

XLogP	3.5
極性表面積	28.2
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	7
形式電荷	0
複雑度	66
Kovats Retention Index	1227
融点	-17.5°C
沸点	218-219 °C (lit.)
密度	2.137 g/mL at 25 °C (lit.)
屈折率	n20/D 1.632(lit.)
引火点	125 °F
貯蔵条件	Keep in dark place,Inert atmosphere,2-8°C
外観・状態	液体
比重	2.137
色	White to Yellow to Green
BRN	107512
InChI	InChI=1S/C4H2Br2S/c5-3-1-2-7-4(3)6/h1-2H
InChIKey	ATRJNSFQBYKFSM-UHFFFAOYSA-N
SMILES	C1(Br)SC=CC=1Br
CAS データベース	3140-93-0(CAS DataBase Reference)
NISTの化学物質情報	Thiophene, 2,3-dibromo-(3140-93-0)

化学的特性

clear yellowish to brownish liquid

安全性と法規制

GHS 分類	DangerH226 (91.7%): Flammable liquid and vapor [Warning Flammable liquids]H301 (85.4%): Toxic if swallowed [Danger Acute toxicity, oral]H315 (16.7%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (97.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]P210, P233, P240, P241, P242, P243, P264, P264+P265, P270, P280, P301+P316, P302+P352, P303+P361+P353, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 48 reports by companies from 7 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.
Hazard Classes and Categories	Flam. Liq. 3 (91.7%)Acute Tox. 3 (85.4%)Skin Irrit. 2 (16.7%)Eye Irrit. 2A (97.9%)
F	8
水環境危害等級（WGK）	3
輸送番号（UN）	UN 1993 3/PG 3
税関コード	29349990
危険文句（R）	10-36/37/38-20/21/22-36-25
消防法	危-4-2-III
危険表示	Xn,F,Xi,T
hazard_note	Flammable/Irritant
安全措置（S）	23-24/25-36/37/39-26-16-36-45
危険等級	3Acute Tox. 3 OralEye Irrit. 2Flam. Liq. 3
包装等級	III
貯蔵分類	3 - Flammable liquids

用途

有機合成原料。

使用

2,3-Dibromothiophene (cas# 3140-93-0) is a compound useful in organic synthesis.