2,3,5-三碘苯甲酸 | 88-82-4

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中文名称：2,3,5-三碘苯甲酸
英文名称：2,3,5-Triiodobenzoic acid
CAS No.：88-82-4 分子式：C₇H₃I₃O₂ 分子量：499.810939073563
如需查看该化合物的详细结构式,mol文件,smile, InChi 请点击：2,3,5-三碘苯甲酸结构式
MSDS：2,3,5-三碘苯甲酸msds 价格行情：2,3,5-三碘苯甲酸价格 PubChem CID：24900330
国内供应商

2,3,5-三碘苯甲酸的其他展现形式

相关化合物

2-碘-3-甲基苯甲酸 2-Iodo-3-methylbenzoic acid CAS No.：108078-14-4

2-碘-3,4-二甲基苯甲酸 2-Iodo-3,4-dimethylbenzoic acid CAS No.：129833-31-4

1,2-二溴-3,5-二氟苯 2,5-Diiodobenzoic acid CAS No.：14192-12-2

Benzoic acid, triiodo- CAS No.：27836-94-8

Benzoic acid, 2-iodo-,ion(1-) CAS No.：16887-77-7

Benzoic acid, iodo- CAS No.：1321-07-9

名称和标识符

MDL	MFCD00002420
InChIKey	ZMZGFLUUZLELNE-UHFFFAOYSA-N
Inchi	1S/C7H3I3O2/c8-3-1-4(7(11)12)6(10)5(9)2-3/h1-2H,(H,11,12)
SMILES	O=C(C1C(I)=C(I)C=C(I)C=1)O
BRN	1955088

别名信息

- 中文别名 -

2,3,5-三碘苯甲酸 2,3,5-Triiodobenzoic Acid 2,3,5-三碘苯甲酸 2,3,5-三碘苯甲酸,2,3,5-Triiodobenzoic acid 2.3.5-三碘苯甲酸三碘苯甲酸 2,3,5三碘安息香酸 2,3,5-三碘苯甲酸标准品 2,3,5-三碘代苯甲酸 TIBA 2,3,5-三碘苯甲酸 BR，98%

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- 英文别名 -

2,3,5-Triiodobenzoic acid 2,3,5-Triiodobenzoicacid Solution trans2-Methyl-3-heptene 2,3,4,6-TETRA-O-BENZYL-D-GALACTOPYRANOSE TRICHLOROACETIMIDATE 2,3,5-TIBA 2,3,5-triiodo-benzoic acid 2,3,5-tri-iodobenzoic acid 2,3,5-Triiodobenzoic acid  2-iodoyl-3,5-diiodobenzoic acid Benzoic acid,2,3,5-triiodo Caswell No. 890A Floraltone Johnkolor TIBA Triiodobenzoic acid Triiodobenzoicacid Benzoic acid, 2,3,5-triiodo- Triiodobenzoic acid (VAN) Regin 8 Kyselina 2,3,5-trijodbenzoova A 20812 EPA Pesticide Chemical Code 009104 Kyselina 2,3,5-trijodbenzoova [Czech] acide 2,3,5-triiodobenzoique TIB ZMZGFLUUZLELNE-UHFFFAOYSA-N H575A4059Q 2,3,5-Triiodoben AI3-27442 EINECS 201-859-6 NCGC00248208-02 BBL014157 AB01330639-02 2,3,5-Triiodobenzoic acid, BioReagent, plant cell culture tested, >=97% (HPLC) Q27105007 LS-38406 88-82-4 2,5-Triiodobenzoic acid AM20041296 Tox21_300914 2,5-TIBA DS-18053 T0451 BRN 1955088 NSC-2582 NCGC00254818-01 DTXCID2021317 CAS-88-82-4 Regim 8 STK390176 HSDB 7575 CS-W011500 Benzoic acid,3,5-triiodo- DTXSID4041317 AC-17003 SCHEMBL39041 NCGC00248208-01 HY-W010784 B3I 2,3,5-TRIIODOBENZOIC ACID [HSDB] 2,3,5-triiodbenzoesyre Regim 8 (Salt/Mix) W-100387 UNII-H575A4059Q CHEBI:73175 Z104484766 WLN: QVR BI CI EI 2,3,5-TRIIODOBENZOIC ACID SY036835 EN300-20907 InChI=1/C7H3I3O2/c8-3-1-4(7(11)12)6(10)5(9)2-3/h1-2H,(H,11,12 CK2209 BB 0245940 AKOS000109232 NSC2582 2,3,5-Triiodo-benzoic acid MFCD00002420 2,3,5-Triiodobenzoic acid, 98% 2,3,5-Triiodobenzoic acid, technical grade FT-0609456 A-20812 CHEMBL115079 C7H3I3O2 NSC 2582 2,3,5-Triiodobenzoic acid (ACI)

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物化性质

实验特性

LogP	3.19860
PSA	37.30000
水溶性	Insoluble in water.
沸点	456.7 °C at 760 mmHg
熔点	220-222 °C (lit.)
闪点	230 °C
溶解度	methanol: soluble5%, hazy, orange to very deep orange (light)
颜色与性状	浅黄色棱柱状结晶。
溶解性	溶于热乙醇和乙醚，微溶于沸苯，不溶于水。
敏感性	Light Sensitive
密度	2.7985 (estimate)

计算特性

精确分子量	499.72700
氢键供体数量	1
氢键受体数量	2
可旋转化学键数量	1
同位素质量	499.726708
重原子数量	12
复杂度	186
同位素原子数量	0
确定原子立构中心数量	0
不确定原子立构中心数量	0
确定化学键立构中心数量	0
不确定化学键立构中心数量	0
共价键单元数量	1
疏水参数计算参考值（XlogP）	3.4
互变异构体数量	无
表面电荷	0
拓扑分子极性表面积	37.3

安全信息纠错

符号：	GHS07
RTECS号	DH9275000
WGK Germany	3
安全说明	S22-S26-S36-S24/25
风险术语	R22
危险品标志	Xn
危险品运输编号	NONH for all modes of transport
危害声明	H302
警示性声明	P264-P270-P280-P301+P312+P330-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P501
提示语	警告
储存条件	−20°C
危险类别码	22
信号词	Warning
TSCA	Yes

国际标准相关数据

EINECS

2582

海关数据

海关编码

29163900

海关数据

中国海关编码：

2916399015

概述：

2916399015 三碘苯甲酸。监管条件:S(进出口农药登记证明)。增值税率:17.0%。退税率:0.0%。最低关税:6.5%。普通关税:30.0%

申报要素：

品名, 成分含量, 用途, 丙烯酸、丙烯酸盐或酯应报明包装

监管条件：

S.进出口农药登记证明

Summary：

2916399015 2,3,5-triiodobenzoic acid。supervision conditions:s(import or export registration certificate for pesticides)。VAT:17.0%。tax rebate rate:0.0%。MFN tarrif:6.5%。general tariff:30.0%

生产方法和用途

用途	用作植物生长调节剂。

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专业数据库参考

PubChemId

24900330

参考资料

Reaxys RN	1955088
Beilstein	1955088

产品用途

用作植物生长调节剂