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1-[Bis(4-chlorophenyl)methyl]piperazine

HCID 285510
NotesReactions
Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
27469-61-0
Standard SMILES
Clc1ccc(C(c2ccc(Cl)cc2)N2CCNCC2)cc1
InChIKey
PTLFMGDNZYQISN-UHFFFAOYSA-N
Molecular formula
C17H18Cl2N2
Average molar mass
321.2 g/mol
Monoisotopic mass
320.084704

Names & identifiers

Preferred name
1-[Bis(4-chlorophenyl)methyl]piperazine
IUPAC
1-[bis(4-chlorophenyl)methyl]piperazine
English name
1-(4,4'-DICHLOROBENZHYDRYL)PIPERAZINE
Molecular formula
C17H18Cl2N2
Molecular weight
321.24

Names & synonyms

1-(Bis(4-chlorophenyl)methyl)piperazine1-[bis(4-chlorophenyl)methyl]piperazineDTXSID90301336RefChem:428937DTXCID90252470674-803-527469-61-01-(4,4'-Dichlorobenzhydryl)piperazineMFCD00191212NSC142496NSC-142496CHEMBL422093
Show more names
Dichlorobenzhydrylpiperazine1-(4,4Dichlorbenzhydryl)piperazine1-(4,4’-Dichlorobenzhydryl)piperazine1-(4,4'-Dichlorobenzhydryl)piperazine98%1-(4,4'-Dichlorobenzhydryl)piperazine 98%1-(Bis(4-chlorophenyl)methyl)piperazine - [B93706]1-(4,4′-Dichlorobenzhydryl)piperazine, CAS 27469-61-0CAS27469-61-0 1-[bis(4-chlorophenyl)methyl]piperazine
SCHEMBL1137956Piperazine, 1-[bis(4-chlorophenyl)methyl]-4,4'-DichlorobenzhydrylpiperazineNCI-142496PS-70411-[Bis-(4-chloro-phenyl)-methyl]-piperazine4-(bis(4-chlorophenyl)methyl)piperazine4-[Bis(4-chlorophenyl)methyl]piperazine

Database identifiers

CAS
27469-61-0

Properties

Computed structural properties

XLogP
4.1
Topological polar surface area
15.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
3
Heavy atoms
21
Formal charge
0
Complexity
282

Physicochemical properties

Melting point
107 °C · 107 °C
Boiling point
425.4 · 425.4±40.0 °C(Predicted)
Density
1.237 · 1.237±0.06 g/cm3(Predicted)
storage temp.
Keep in dark place,Inert atmosphere,Room temperature
form
solid
pka
8.97 · 8.97±0.10(Predicted)
color
White to yellow
CAS DataBase Reference
27469 · 27469-61-0(CAS DataBase Reference)
Symbol(GHS)
5 · GHS05,GHS07
Signal word
Danger
Hazard statements
302 · H302-H312-H314-H332
Precautionary statements
260 · P260-P261-P264-P270-P271-P280-P301+P312-P301+P330+P331-P302+P352-P303+P361+P353-P304+P340-P305+P351+P338-P310-P312-P321-P322-P330-P363-P405-P501
Hazard Codes
Xi
Risk Statements
36 · 36/37/38
Safety Statements

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral];H315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation];H317 (33.3%): May cause an allergic skin reaction [Warning Sensitization, Skin];H318 (66.7%): Causes serious eye damage [Danger Serious eye damage/eye irritation];H319 (33.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (66.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation];H361 (33.3%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity];H400 (33.3%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard];H410 (33.3%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard];H411 (33.3%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P203, P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P318, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 3 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.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (66.7%);Skin Irrit. 2 (66.7%);Skin Sens. 1A (33.3%);Eye Dam. 1 (66.7%);Eye Irrit. 2 (33.3%);STOT SE 3 (66.7%);Repr. 2 (33.3%);Aquatic Acute 1 (33.3%);Aquatic Chronic 2 (33.3%)

Safety data

ridadr
UN1759

Chemistry & industry

Suppliers45 total

上海康恩博医药科技有限公司17510465506 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
毕佳索(上海毕得医药科技股份有限公司)400-6005915 · [email protected]
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
Aladdin Scientific[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
重庆科脉材料科技有限公司17830741407 · [email protected]
上海健超生物科技有限公司150-2103-5486 18017383231 · [email protected]
杭州噻伏新材料科技有限公司0571-86113725 15372021306
武汉德拜技术有限公司18086626237 18086626237 · [email protected]
上海超岚化工科技中心(原宁波市超明生物科技有限公司)13301662590 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]

Related reactions

23 records
New reaction record
HRID 359396 reaction equation
HRID 359396As reactantuspto-grants-1991_03
HRID 373634 reaction equation
HRID 373634As reactantuspto-grants-1992_11
HRID 476622 reaction equation
HRID 476622As reactantuspto-grants-1989_12
HRID 481585 reaction equation
HRID 481585As reactantuspto-grants-1998_08
HRID 565458 reaction equation
HRID 565458As reactantuspto-grants-2001_01
HRID 565749 reaction equation
HRID 565749As reactantuspto-grants-2001_01
HRID 565774 reaction equation
HRID 565774As reactantuspto-grants-2001_01
HRID 565775 reaction equation
HRID 565775As reactantuspto-grants-2001_01
Page 1 of 3

Compound notes

Loading…

On this pageBasic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
PubChem CID
285510
DTXSID
DTXSID90301336
ChEMBL
CHEMBL422093
UNII
9XFN65D3TS
EC Number
674-803-5
Nikkaji
J272.148A
26 · 26-36/37/39
RIDADR
1759 · UN1759
Hazard Note
Irritant
HazardClass
8 · 8
HS Code
2933599590 · 2933599590
Limited Quantities
1 Kg · 1 Kg (2.2 lbs) (solid)
Excepted Quantities
Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
hs_code
2933599590
risk_code
36/37/38
Signal word
Danger
Symbol(GHS)
GHS05,GHS07
hazard_code
Xi
hazard_note
Irritant
safety_code
26-36/37/39
hazard_class
8
Hazard statements
H302-H312-H314-H332
Limited Quantities
1 Kg (2.2 lbs) (solid)
Excepted Quantities
Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
Precautionary statements
P260-P261-P264-P270-P271-P280-P301+P312-P301+P330+P331-P302+P352-P303+P361+P353-P304+P340-P305+P351+P338-P310-P312-P321-P322-P330-P363-P405-P501
江西弗莱医药科技有限公司
15870833005 · [email protected]
武汉凯威斯科技有限公司027-67849912 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
天津凯利奇生物科技有限公司15076683720 · [email protected]
南京诺希生物科技有限公司025-85767923 18512596075
上海林栎生物科技有限公司13761635123 · [email protected]
Shanghai Acmec Biochemical Technology Co., Ltd.+86-18621343501 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
济宁一泽医药科技有限公司15192473210 · [email protected]
河南天孚化工有限公司+86-0371-55170693 +86-19937530512 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
肇庆市万维新材料科技有限公司0755-1328880-4488 13049823633;13068786899;13288804488 · [email protected]
河南阿尔法化工有限公司0371-55051623 18137891487 · [email protected]
ATK CHEMICAL COMPANY LIMITED+undefined-21-51877795 · [email protected]
上海吉至生化科技有限公司021-4009004166/18616739031 18616739031 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 · [email protected]
上海雷祺生物科技有限公司18621609968 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 17714375163 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
上海恬枫生物科技有限公司18717800556 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
SHANGHAI KEAN TECHNOLOGY CO., LTD.+8613817748580 · [email protected]
武汉凯威斯科技有限公司027-67849912 · [email protected]
上海捷世凯生物科技有限公司021-57520305 13795461237 · [email protected]
重庆卡兰医药有限公司[email protected]
上海相辉医药科技有限公司13611835272 13611835272 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
郑州研德生物科技有限公司13298105281 · [email protected]
上海阿摩尔生物科技有限公司13370042665 18916960931 · [email protected]
合肥钼凯医药科技有限公司18001872185; 18001872185 · [email protected]
上海信旗医药科技有限公司+86-21-54098501 · [email protected]