基本描述

别名	1-溴丁烷 \| 丁基溴 \| 正溴丁烷
英文别名	AI3-15308 \| 1-Butyl bromide \| BBU \| A802070 \| JC10149 \| SCHEMBL8141 \| 4-bromobutane \| 4-bromo-butane \| FT-0663658 \| n-butyl-bromide \| 1-BROMOBUTANE;1-BUTYL BROMIDE;BROMOBUTANE;BUTYL BROMIDE;N-BUTYL BROMIDE \| EN300-19285 \| N-BUTYL BROMIDE [HSDB] \| CCRIS 83
规格或纯度	化学纯（CP）, ≥98%(GC)
英文名称	n-Butyl bromide
应用	用于合成麻醉药盐酸丁卡因；也用于生产染料和香料。
储存温度	避光,室温
运输条件	常规运输
产品介绍	不溶于水，水中溶解度:0.608 g/l (30°C)，易溶于醇、醚、丙酮、氯仿、苯和CCl4。性质稳定，但在常温下易起火，起火时无化学反应发生。能刺激皮肤。用于合成麻醉药盐酸丁卡因；也用于生产染料和香料。

AI解读

关联靶点（其它种属）

Aspergillus nidulans (364 活性数据)

点击查看此靶标相关信息

活性类型	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

作用机制

作用机制	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	参考文献

名称和识别符

EC号	203-691-9
分子类型	小分子
IUPAC Name	1-bromobutane
INCHI	InChI=1S/C4H9Br/c1-2-3-4-5/h2-4H2,1H3
InChi Key	MPPPKRYCTPRNTB-UHFFFAOYSA-N
Canonical SMILES	CCCCBr
Isomeric SMILES	CCCCBr
WGK Germany	2
RTECS	EJ6225000
PubChem CID	8002
UN Number	1126
Packing Group	II
分子量	137.02
Beilstein号	1098260

化学和物理性质

溶解性	不溶于水，溶于乙醇、乙醚。
密度	1.28
敏感性	对光敏感
折光率	1.4398
闪点(℉)	50.0 °F
闪点(℃)	10℃
沸点	101.6°C
熔点	-112.4°C
分子量	137.020 g/mol
XLogP3	2.800
氢键供体数Hydrogen Bond Donor Count	0
氢键受体数Hydrogen Bond Acceptor Count	0
可旋转键计数Rotatable Bond Count	2
精确质量Exact Mass	135.989 Da
单同位素质量Monoisotopic Mass	135.989 Da
拓扑极表面积Topological Polar Surface Area	0.000 Å²
重原子数Heavy Atom Count	5
形式电荷Formal Charge	0
复杂度Complexity	13.100
同位素原子数Isotope Atom Count	0
定义的原子立体中心计数Defined Atom Stereocenter Count	0
未定义的原子立体中心计数Undefined Atom Stereocenter Count	0
定义的键立体中心计数Defined Bond Stereocenter Count	0
未定义的键立体中心计数Undefined Bond Stereocenter Count	0
所有立体化学键的总数The total count of all stereochemical bonds	0
共价键合单元计数Covalently-Bonded Unit Count	1

安全和危险性（GHS）

一般危化品	一般危化品
象形图	GHS08, GHS09, GHS07, GHS02
信号词	Danger
危险声明	H315: 引起皮肤刺激 H319: 引起严重眼睛刺激 H335: 可能引起呼吸道刺激 H411: 对水生生物有毒并具有长期持续影响 H225: 高度易燃的液体和蒸气 H226: 易燃液体和蒸气
预防措施声明	P261: 避免吸入灰尘/烟雾/气体/雾/蒸汽/喷雾 P305+P351+P338: 如进入眼睛：用水小心冲洗几分钟。如戴隐形眼镜并可方便地取出，取出隐形眼镜。继续冲洗。 P273: 避免释放到环境中。 P280: 戴防护手套/穿防护服/戴防护眼罩/戴防护面具。 P370+P378: 火灾时：使用干砂、干粉或抗醇泡沫灭火。 P210: 远离热源，热表面，火花，明火和其他点火源。 - 禁止抽烟。 P302+P352: 如皮肤沾染：用水充分清洗。 P321: 特殊处理（请参阅此标签上的...）。 P405: 密闭存放 P501: 将内容物/容器处理到。。。 P233: 保持容器密闭。 P240: 地面/粘结容器和接收设备 P264: 处理后要彻底洗手。 P403+P235: 存放在通风良好的地方。保持低温。 P303+P361+P353: 如皮肤（或头发）沾染：立即脱掉所有沾染的衣服。用水清洗皮肤/淋浴。 P271: 仅在室外或通风良好的地方使用。 P241: 使用防爆的[电气/通风/照明/.../]设备。 P304+P340: 如误吸入：将人转移到空气新鲜处，保持呼吸舒适体位。 P403+P233: 存放在通风良好的地方。保持容器密闭。 P362+P364: 脱掉沾污的衣服，清洗后方可重新使用。 P391: 收集溢出物 P242: 仅使用无火花的工具。 P243: 采取防静电措施 P264+P265: 处理后彻底洗手[和…]。不要触摸眼睛。 P337+P317: 如果眼睛刺激持续：寻求医疗帮助。 P332+P317: 如果出现皮肤刺激：请寻求医疗帮助。 P319: 如果你感到不适，请寻求医疗帮助。
WGK Germany	2
RTECS	EJ6225000
Class	3
Merck Index	1553
个人防护装备	Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

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