基本描述

别名	1,4-二甲苯
英文别名	6WAC1O477V \| AKOS000121124 \| BDBM50008567 \| c0083 \| NCGC00091661-01 \| F0001-0120 \| p-Xylene, SAJ first grade, >=99.0% \| p-Xylene-2,3,5,6-d4 \| X0044 \| NCGC00091661-02 \| 1,4-Dimethylbenzol \| P-XYLENE [MI] \| MFCD00008556 \| p-Xylene, ReagentPlus(R), 99% \| p-X
规格或纯度	≥98%
英文名称	p-Xylene
应用	溶剂。有机合成。气相色谱分析标准。
运输条件	常规运输
产品介绍	低温时凝固成片状或棱柱状结晶。溶于乙醇、乙醚和其他许多有机溶剂，不溶于水。易燃。蒸气能与空气形成爆炸性混合物，爆炸极限1.08%-6.60%（体积）。低毒，半数致死量（大鼠，经口）4300mg/kg。有刺激性。溶剂。有机合成。气相色谱分析标准。

AI解读

关联靶点（人）

ACHE Tclin 乙酰胆碱酯酶(Acetylcholinesterase) (1 活性数据)

点击查看靶蛋白信息： ACHE

活性类型	活性值-log(M)	作用机制	期刊	参考文献(PubMed IDs)

ACHE Tclin Acetylcholinesterase (18204 活性数据)

点击查看靶蛋白信息： ACHE

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

PPARG Tclin Peroxisome proliferator-activated receptor gamma (15191 活性数据)

点击查看靶蛋白信息： PPARG

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

Lymphoblastoid cell (5959 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

关联靶点（其它种属）

Oryctolagus cuniculus (11301 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

E Lysozyme (95 活性数据)

点击查看靶蛋白信息： E

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	200-659-6
分子类型	小分子
IUPAC Name	1,4-xylene
INCHI	InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3
InChi Key	URLKBWYHVLBVBO-UHFFFAOYSA-N
Canonical SMILES	CC1=CC=C(C=C1)C
Isomeric SMILES	CC1=CC=C(C=C1)C
WGK Germany	1
PubChem CID	7809
UN Number	1307
Packing Group	III
分子量	106.17

化学和物理性质

溶解性	不溶于水，可混溶于乙醇、乙醚、氯仿等多数有机溶剂。
密度	0.861
折光率	1.5
闪点(℃)	25°C
沸点	137-138°C
熔点	13-14°C
分子量	106.160 g/mol
XLogP3	3.200
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	0
精确质量Exact Mass	106.078 Da
单同位素质量Monoisotopic Mass	106.078 Da
拓扑极表面积Topological Polar Surface Area	0.000 Å²
重原子数Heavy Atom Count	8
形式电荷Formal Charge	0
复杂度Complexity	48.400
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, 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 H413: 可能对水生生物造成长期的有害影响 H303: 要是吞了可能有害 H226: 易燃液体和蒸气 H304: 吞咽并进入呼吸道可能致命 H401: 对水生生物有毒 H312+H332: 皮肤接触或吸入有害。
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。 P301+P310: 如误吞咽：立即呼叫急救中心/医生。 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。 P405: 密闭存放 P501: 将内容物/容器处理到。。。 P312: 打电话给毒物中心或医生。。。如果你觉得不舒服 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。 P331: 不要催吐 P337+P313: 如仍觉眼刺激：求医/就诊。 P403+P233: 存放在通风良好的地方。保持容器密闭。 P332+P313: 如发生皮肤刺激：求医/就诊。 P242: 仅使用无火花的工具。 P243: 采取防静电措施 P304+P340+P312: 如误吸入：将人转移到空气新鲜处，保持呼吸舒适体位。如感觉不适，呼叫急救中心/医生。
WGK Germany	1
Class	3
Merck Index	10081

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C2528594	分析证书	25-04-02	X103334
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I2426254	分析证书	24-10-10	X103334
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C23231057	分析证书	23-03-28	X103334
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I2226212	分析证书	22-09-30	X103334
G2214494	分析证书	22-07-18	X103334
G2214495	分析证书	22-01-22	X103334
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A2218114	分析证书	22-01-22	X103334
A2212102	分析证书	22-01-18	X103334

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溶液计算器

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