136547-17-6
中文名稱
4-(三氟甲基)-2-巰基嘧啶
英文名稱
4-(Trifluoromethyl)-2-pyrimidinethiol
CAS
136547-17-6
分子式
C5H3F3N2S
MDL 編號(hào)
MFCD00115113
分子量
180.15
MOL 文件
136547-17-6.mol
更新日期
2026/05/25 12:48:48
136547-17-6 結(jié)構(gòu)式
基本信息
中文別名
4-三氟甲基-2-嘧啶硫醇2-巰基-4-三氟甲基嘧啶
2-巰基-4-(三氟基甲基)嘧啶
英文別名
2-MERCAPTO-4-(TRIFLUOROMETHYL)PYRIMIDINE4-(TRIFLUOROMETHYL)-2-PYRIMIDINETHIOL
4-(TRIFLUOROMETHYL)PYRIMIDINE-2-THIOL
AKOS B022179
ART-CHEM-BB B022179
BUTTPARK 27\08-66
4-(Trifluoromethyl)pyrimidine-2-thiol 97%
4-(Trifluoromethyl)pyrimidine-2-thiol97%
4-(TRIFLUOROMETHYL)-2-PYRIMIDINETHIOL 96%
所屬類別
醫(yī)藥中間體：巰基嘧啶物理化學(xué)性質(zhì)
熔點(diǎn)164-166 °C(lit.)
沸點(diǎn)146.0±50.0 °C(Predicted)
密度1.4933 (estimate)
儲(chǔ)存條件under inert gas (nitrogen or Argon) at 2–8 °C
酸度系數(shù)(pKa)4.96±0.10(Predicted)
形態(tài)固體
敏感性Stench
InChI1S/C5H3F3N2S/c6-5(7,8)3-1-2-9-4(11)10-3/h1-2H,(H,9,10,11)
InChIKeyHDGJASCXBNRLGA-UHFFFAOYSA-N
SMILESFC(F)(F)c1ccnc(S)n1
CAS 數(shù)據(jù)庫136547-17-6(CAS DataBase Reference)
安全數(shù)據(jù)
警示詞危險(xiǎn)
危險(xiǎn)性描述H301-H311-H331
危險(xiǎn)品標(biāo)志T,Xi
危險(xiǎn)類別碼R23/24/25
安全說明S36/37/39-S45
危險(xiǎn)品運(yùn)輸編號(hào)UN 2811 6.1/PG 3
WGK Germany3
Hazard NoteIrritant/Stench
危險(xiǎn)等級(jí)6.1(b)
包裝類別III
海關(guān)編碼29335990
存儲(chǔ)類別6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects
toxic compounds or compounds which causing chronic effects
危險(xiǎn)性類別Acute Tox. 3 Dermal
Acute Tox. 3 Inhalation
Acute Tox. 3 Oral
Acute Tox. 3 Inhalation
Acute Tox. 3 Oral