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2,2-Bis(3,5-dibromo-4-(2-hydroxyethoxy)phenyl)propane

HCID 20113
NotesReactions
Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
4162-45-2
Standard SMILES
CC(C)(c1cc(Br)c(OCCO)c(Br)c1)c1cc(Br)c(OCCO)c(Br)c1
InChIKey
RVHUMFJSCJBNGS-UHFFFAOYSA-N
Molecular formula
C19H20Br4O4
Average molar mass
632 g/mol
Monoisotopic mass
627.80951

Names & identifiers

Preferred name
2,2-Bis(3,5-dibromo-4-(2-hydroxyethoxy)phenyl)propane
IUPAC
2-[2,6-dibromo-4-[2-[3,5-dibromo-4-(2-hydroxyethoxy)phenyl]propan-2-yl]phenoxy]ethanol
English name
4,4'-Isopropylidenebis[2-(2,6-dibromophenoxy)ethanol]
Molecular formula
C19H20Br4O4
Molecular weight
631.98

Names & synonyms

4162-45-24,4'-Isopropylidenebis[2-(2,6-dibromophenoxy)ethanol]Tetrabromobisphenol A bis(2-hydroxyethyl) etherFIRE GUARD 3600DTXSID4038922Y6AMX5NV4O2,2-Bis(3,5-dibromo-4-(2-hydroxyethoxy)phenyl)propaneEthanol, 2,2'-((1-methylethylidene)bis((2,6-dibromo-4,1-phenylene)oxy))bis-EINECS 224-005-42,2-Bis[3,5-dibromo-4-(2-hydroxyethoxy)phenyl]propane4,4'-Isopropylidenebis(2-(2,6-dibromophenoxy)ethanol)J138.376K
Show more names
BA 50AFR 1011LABOTEST-BB LT00159661ETHOXYLATEDTETRABROMOBISPHENOLATBBPA bis(2-hydroxyethyl ether)tetrabromobisphenol-a-bisethoxylatetetrabromobisphenol-a-bisethoxylate.O,O-BIS(2-HYDROXYETHYL)TETRABROMOBISPHENOL A
DTXCID2018922Ethanol, 2,2'-[(1-methylethylidene)bis[(2,6-dibromo-4,1-phenylene)oxy]]bis-2,2'-ISOPROPYLIDENEBIS((2,6-DIBROMO-P-PHENYLENEOXY)DIETHANOL)ETHANOL, 2,2'-(ISOPROPYLIDENEBIS((2,6-DIBROMO-P-PHENYLENE)OXY))DI-4,4'-Isopropylidenebis(2-[2,6-dibromophenoxy]ethanol)RefChem:440824224-005-44,4-Isopropylidenebis[2-(2,6-dibromophenoxy)ethanol](Flakes or Chunks)

Properties

Computed structural properties

XLogP
6.1
Topological polar surface area
58.9 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
8
Heavy atoms
27
Formal charge
0
Complexity
391

Experimental & physicochemical properties

Endocrine DisruptorsPotential endocrine disrupting compound

Physicochemical properties

Melting point
107 °C · 107 °C(lit.)
Boiling point
582.1 · 582.1±50.0 °C(Predicted)
Density
1.811 · 1.8110 (rough estimate)
refractive index
1.5 · 1.5000 (estimate)
storage temp.
Hygroscopic, Refrigerator, under inert atmosphere
solubility
DMSO (Slightly), Methanol (Slightly)
pka
13.76 · 13.76±0.10(Predicted)
form
Solid
color
White to Off-White
Henry's Law Constant
5.6 · 5.6×107 mol/(m3Pa) at 25℃, Zhang et al. (2010)
Stability
Hygroscopic
InChI
1S/C19H20Br4O4/c1-19(2,11-7-13(20)17(14(21)8-11)26-5-3-24)12-9-15(22)18(16(23)10-12)27-6-4-25/h7-10,24-25H,3-6H2,1-2H3

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

GHS classification

GHS Classification · 6 items

This chemical does not meet GHS hazard criteria for 2.2% (1 of 45) of reports.

Warning

H315 (97.8%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Not Classified

Hazard information

Regulatory Information · 3 items

Chemical: Ethanol, 2,2'-[(1-methylethylidene)bis[(2,6-dibromo-4,1-phenylene)oxy]]bis-

Hazard Traits - Carcinogenicity; Endocrine Toxicity

T - indicates a substance that is the subject of a final TSCA section 4 test rule.

Hazard Classes and Categories · 2 items

Skin Irrit. 2 (97.8%)

Hazardous to the aquatic environment (Acute) - Category 1

Safety data

PPE
dust mask type N95 (US), Eyeshields, Gloves
wgk
3
tsca
TSCA listed
ridadr
3152
hs_code
29094990
risk_code
36/37/38
Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
Xi

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationEthanol, 2,2'-[(1-methylethylidene)bis[(2,6-dibromo-4,1-phenylene)oxy]]bis-: ACTIVE

Applications

Uses4,4''-Isopropylidenebis[2-(2,6-dibromophenoxy)ethanol] is a brominated flame retardant.

Suppliers59 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
爱斯特(成都)生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Aladdin Scientific[email protected]
毕佳索(上海毕得医药科技股份有限公司)400-6005915 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
安耐吉化学&3A(安徽泽升科技股份有限公司)400-0056266 · [email protected]

Related reactions

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Compound notes

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On this pageBasic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes

Database identifiers

CAS
4162-45-2
PubChem CID
20113
DTXSID
DTXSID4038922
ChEMBL
CHEMBL216852
UNII
Y6AMX5NV4O
EC Number
224-005-4
Nikkaji
J138.376K
InChIKey
RVHUMFJSCJBNGS-UHFFFAOYSA-N
SMILES
CC(C)(c1cc(Br)c(OCCO)c(Br)c1)c2cc(Br)c(OCCO)c(Br)c2
CAS DataBase Reference
4162 · 4162-45-2(CAS DataBase Reference)
FDA UNII
6 AMX5NV4O · Y6AMX5NV4O
EPA Substance Registry System
Tetrabromobisphenol A bis(2-hydroxyethyl) ether (4162-45-2)
UNSPSC Code
12162002 · 12162002
NACRES
23 · NA.23
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
315 · H315-H319-H335
Precautionary statements
261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
target organs
Respiratory system
PPE
95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes
Xi
Risk Statements
36 · 36/37/38
Safety Statements
26 · 26-37/39
RIDADR
3152 · 3152
WGK Germany
3 · 3
TSCA
TSCA listed
HazardClass
9 · 9
PackingGroup
II
HS Code
29094990 · 29094990
Storage Class
11 · 11 - Combustible Solids
Hazard Classifications
2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3
safety_code
26-37/39
hazard_class
9
Storage Class
11 - Combustible Solids
packing_group
II
target organs
Respiratory system
Hazard statements
H315-H319-H335
Hazard Classifications
Eye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements
P261-P264-P271-P280-P302+P352-P305+P351+P338
广东元丰化学试剂有限公司0751-2829979 13318593351 · [email protected]
广东方信生物科技有限公司0751-2838688 13376594225 · [email protected]
宝鸡缔都医药化工有限公司029-81145305 17791533577 · [email protected]
玛雅试剂+86 (573) 82222445 (0)18006601000 452520369 · [email protected]
天津希恩思生化科技有限公司400 638 7771 · [email protected]
艾科试剂4008-755-333 18080918076 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
成都麦卡希化工有限公司028-85632863 18108198598 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
安徽科迪达化工有限公司0554-2106669 · [email protected]
成都零六生物科技有限公司400-1166-196 13458535857 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
Alfa Chemistry1-516-6625404 · [email protected]
九鼎化学(上海)科技有限公司4009209199 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
艾吉析科技(上海)有限公司17717235263 17717235263 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
上海瀚思化工有限公司18916268197 · [email protected]
广东翁江化学试剂有限公司0751-2886750 13927877953 · [email protected]
山东小野化学股份有限公司0539-6362799 20)
上海贤鼎生物科技有限公司021-021-52271985 17721149837 · [email protected]
上海炎泽化工有限公司19901447308 19962611955 · [email protected]
Shaanxi Dideu New Materials Co. Ltd18192503167 · [email protected]
Shanghai Acmec Biochemical Technology Co., Ltd.+86-18621343501 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [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]
天津希恩思生化科技有限公司400-6387771-6039 18920764717 · [email protected]
career henan chemical co+86-0371-86658258 · [email protected]
武汉赢元贝商贸有限公司86-13349903920 13349903920 · [email protected]
北京迈瑞达科技有限公司010-82387566 18001021521 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
TCI Chemicals (India) Pvt. Ltd.[email protected]
河南威梯希化工科技有限公司0371-63284658 18135795563 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
SHANGHAI KEAN TECHNOLOGY CO., LTD.+8613817748580 · [email protected]
陕西缔都医药化工有限公司+86-29-81139210 17389186172 · [email protected]