2,3,5,6-四氟甲苯

2,3,5,6-Tetrafluorotoluene

HCID 78896CAS 5230-78-4

子结构检索查找相似结构

基本信息

标准SMILES: Cc1c(F)c(F)cc(F)c1F
InChIKey: POMGTQLCZJZYAM-UHFFFAOYSA-N
分子式: C7H4F4
平均分子量: 164.1 g/mol
单同位素质量: 164.02491278

名称与标识

首选名称: 2,3,5,6-Tetrafluorotoluene
IUPAC: 1,2,4,5-tetrafluoro-3-methylbenzene
中文名: 2,3,5,6-四氟甲苯
英文名: 2,3,5,6-Tetrafluorotoluene
分子式: C7H4F4
分子量: 164.1

名称与别名

2,3,5,6-Tetrafluorotoluene5230-78-41,2,4,5-Tetrafluoro-3-methylbenzeneBenzene, 1,2,4,5-tetrafluoro-3-methyl-344KT4ZU8TEINECS 226-028-5NSC-97004DTXSID80200329NSC 97004RefChem:81379DTXCID30122820226-028-5

展开更多名称

2,3,5,6-四氟甲苯1,2,4,5-四氟-3-甲基苯2,3,5,6-Tetrafluorotoluene98%2,3,5,6-Tetrafluorotoluene 98%

POMGTQLCZJZYAM-UHFFFAOYSA-NMFCD00000313NSC97004UNII-344KT4ZU8TSCHEMBL169896SCHEMBL295026SCHEMBL472940SBB087757

数据库标识

CAS: 5230-78-4
PubChem CID: 78896
DTXSID: DTXSID80200329
UNII: 344KT4ZU8T
EC Number: 226-028-5
Nikkaji: J297.946B

性质

结构计算性质

XLogP: 2.7
极性表面积: 0 Å²
氢键供体: 0
氢键受体: 4
可旋转键: 0
重原子: 11
形式电荷: 0
复杂度: 124

物理化学性质

熔点: -40 °C · -40°C
沸点: 125 · 125-126 °C(lit.)
密度: 1.347 g/mL · 1.347 g/mL at 25 °C(lit.)
折射率: 20 · n20/D 1.42(lit.)
闪点: 74 °F · 74 °F
储存条件: Flammables area
形态: liquid
颜色: Clear, colourless
比重: 1.347 · 1.347
CAS 数据库: 5230 · 5230-78-4(CAS DataBase Reference)

安全与法规

GHS分类

GHS Classification · 5 条

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]；H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 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.

危害信息

Hazard Classes and CategoriesFlam. Liq. 3 (100%)；Acute Tox. 4 (100%)；Acute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；Acute Tox. 4 (100%)；STOT SE 3 (100%)

安全数据

wgk: 3
hazard_note: Flammable
包装类别: II
危险等级: 3.1
安全说明: 16-26-36/37/39-36/37
海关编码: 29039990
危险品标志: Xn,F,Xi
危险类别码: 10-20/21/22-36/37/38
危险品运输编号: UN 1993 3/PG 3

化学与工业

上下游产品信息

下游产品

试剂价格

031268 · 1kg: 氧化铝, 活性的, 催化剂载体, 99% (metals basis)Aluminum oxide, activated, catalyst support, 99% (metals basis) — 3869元
312680010 · 1GR: 2,3,5,6-四氟甲苯2,3,5,6-Tetrafluorotoluene 98% — 707元