2-氯-3',4'-二羟基苯乙酮 | 99-40-1
中文名称:
2-氯-3',4'-二羟基苯乙酮
英文名称:
2-Chloro3',4'-Ddihydroxyacetophenone
CAS No.:
99-40-1
分子式:
C8 H7 ClO3
分子量:
186.5924
名称和标识符
MDL
MFCD00002200
InChIKey
LWTJEJCZJFZKEL-UHFFFAOYSA-N
Inchi
1S/C8H7ClO3/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,10-11H,4H2
SMILES
ClC([H])([H])C(C1C([H])=C([H])C(=C(C=1[H])O[H])O[H])=O
BRN
2092660
别名信息
- 中文别名 -
2-氯-3',4'-二羟基苯乙酮
氯乙酰儿茶酚
4-(乙酰氯)邻苯二酚
4-(氯乙酰基)儿茶酚
3,4-二羟基苯酰甲基氯
4-(氯乙酰基)苯邻二酚
4-(氯乙酰基)邻苯二酚
4-氯乙酰基-1,2-苯二酚
3,4-二羟基-2-氯代苯乙酮
3,4-二羟基-2'-氯苯乙酮
3,4-二羟基-ω-氯代苯乙酮
2-氯-3′,4′-二羟基苯乙酮
2-Chloro-3鈥?,4鈥?-dihydroxyacetophenone
2-氯-3'',4''-二羟基苯乙酮
3,4-二羟基-2\'-氯苯乙酮
3,4-二羟基-2’-氯苯乙酮
3,4-二羟基-2鈥�-氯苯乙酮
4-(Chloroacetyl)catechol 4-(氯乙酰基)苯邻二酚
去甲肾上腺素杂质E
2-氯-3,4-二羟基苯乙酮
2-氯-3’,4’-二羟基苯乙酮
3,4-二羟基-2-氯苯乙酮
3,4-二羟基-W-氯代苯乙酮
3,4-二羟基-α-氯代苯乙酮
4-(氯乙酰基)-1,2-二羟基苯
- 英文别名 -
2-Chloro-1-(3,4-dihydroxyphenyl)ethanone
alpha-Chloro-3,4-dihydroxyacetophenone
3,4-Dihydroxyphenacyl chloride
Chloracetyl catechol
4-(Chloroacetyl)catechol
2-CHLORO-1-(3,4-DIHYDROXY-PHENYL)-ETHANONE
2-Chloro-3',4'-dihydroxyacetophenone
2-Chloro-3,4-Dihydroxyacetophenone
4-(Chloroacetyl)-1,2-dihydroxybenzene
4-(Chloroacetyl)pyrocatechol
Chloroacetyl catechol
Ethanone, 2-chloro-1-(3,4-dihydroxyphenyl)-
3',4'-Dihydroxy-2-chloroacetophenone
chloromethyl 3,4-dihydroxyphenyl ketone
LWTJEJCZJFZKEL-UHFFFAOYSA-N
FN6949L56Q
.alpha.-Chloro-3,4-dihydroxyacetophenone
.alpha.-Chloro-3',4'-dihydroxyacetophenone
2-chloro-1-(3,4-dihydroxy
PD140509
DTXSID90243929
ACETOPHENONE, .ALPHA.-CHLORO-3,4-DIHYDROXY-
SCHEMBL43409
CHEMBL105609
AI3-25258
UPCMLD0ENAT0516-6643:001
1-CHLOROACETYL-3,4-DIHYDROXYBENZENE
F0001-2334
2-Chloro-1-(3,4-dihydroxyphenyl)ethanone #
2-chloro-3'',4''-dihydroxyacetophenone
NORADRENALINE TARTRATE IMPURITY E [EP IMPURITY]
NCGC00184201-02
CHEBI:51844
Z56912624
2-chloro-3'4'-dihydroxyacetophenone
AMY21828
NSC13905
W-100038
MFCD00002200
4-chloroacetylcatechol
2-chloro-1-(3,4-dihydroxyphenyl)ethan-1-one
CS-W016884
O10915
NSC17869
BDBM50119688
Acetophenone, 2-chloro-3',4'-dihydroxy-
AC-7480
99-40-1
AS-18630
SY049311
2-Chloro3',4'-Ddihydroxyacetophenone
NCGC00184201-01
2-Chloro-3',4'-dihydroxyacetophenone
2-Chloro-1-(3,4-dihydroxyphenyl)ethanone
2-chloro-3'4'-dihydroxy-acetophenone
Noradrenaline impurity E
NSC 13905
NSC 17869
NSC-17869
AT-051/43421153
FT-0611705
NS00041156
UNII-FN6949L56Q
alpha-Chloro-3',4'-dihydroxyacetophenone
4-(chloroacetyl)-catechol
InChI=1/C8H7ClO3/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,10-11H,4H
2-Chloro-3',4'-dihydroxyacetophenone, 97%
EINECS 202-754-8
EN300-17297
2-CHLORO-1-(3,4-DIHYDROXYPHENYL)-1-ETHANONE
4-chloroacetyl-catechol
A846017
4-(2-chloroacetyl)pyrocatechol
Noradrenaline impurity E, European Pharmacopoeia (EP) Reference Standard
3,4-Dihydroxy-alpha-chloroacetophenone
NSC-13905
Q27122818
AKOS000120697
物化性质
实验特性
LogP
1.51930
PSA
57.53000
折射率
1.611
沸点
418.7°C at 760 mmHg
熔点
174-176 °C (lit.)
闪点
418.7°C at 760 mmHg
溶解度
Soluble in DMSO, methanol.
颜色与性状
结晶体。
溶解性
未确定
敏感性
对湿度敏感
密度
1.444
计算特性
精确分子量
186.00800
氢键供体数量
2
氢键受体数量
3
可旋转化学键数量
2
同位素质量
186.008372
重原子数量
12
复杂度
172
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)
2.1
互变异构体数量
22
表面电荷
0
拓扑分子极性表面积
57.5
海关数据
海关编码
2914700090
海关数据
中国海关编码:
2914700090
概述:
2914700090 其他酮及醌的卤化、磺化衍生物(包括硝化和亚硝化衍生物). 增值税率:17.0% 退税率:9.0% 监管条件:无 最惠国关税:5.5% 普通关税:30.0%
申报要素:
品名, 成分含量, 用途, 丙酮报明包装
Summary:
HS: 2914700090 halogenated, sulphonated, nitrated or nitrosated derivatives of ketones and quinones, whether or not with other oxygen function Tax rebate rate:9.0% Supervision conditions:none VAT:17.0% MFN tariff:5.5% General tariff:30.0%
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参考资料
Reaxys RN
2092660
Beilstein
8,273
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「2-氯-3′,4′-二羟基苯乙酮」99-40-1
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「2-氯-3’,4’-二羟基苯乙酮」99-40-1
2-氯-3’,4’-二羟基苯乙酮的熔点是多少?
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2-氯-3',4'-二羟基苯乙酮的熔点是多少?
2-氯-3’,4’-二羟基苯乙酮的沸点是多少?
「2-氯-3',4'-二羟基苯乙酮」99-40-1
2-氯-3′,4′-二羟基苯乙酮的熔点是多少?
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