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Benzenaminium, N,N,N-trimethyl-, (tribromide) (1:1)

HCID 77880
NotesReactions

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Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
No structure available

Basic information

CAS
4207-56-1
InChIKey
PRXNKYBFWAWBNZ-UHFFFAOYSA-N
Molecular formula
C9H14N.Br3
Average molar mass
375.93 g/mol

Names & identifiers

Preferred name
Benzenaminium, N,N,N-trimethyl-, (tribromide) (1:1)
English name
Phenyltrimethylammonium tribromide
Molecular formula
C9H14Br3N-2
Molecular weight
375.93

Names & synonyms

4207-56-1Phenyltrimethylammonium tribromide9V4E7J2MSSBenzenaminium, N,N,N-trimethyl-, (tribromide)NSC-87897NSC-138640NSC-173340Benzenaminium, N,N,N-trimethyl-, (tribromide) (1:1)RefChem:173134224-127-8Trimethylphenylammonium tribromideJacques reagent
Show more names
PTAPPhenyltrimethylammonium perbromidePhenyltriMethyltribroMidePHENYLTRIMETHYLAMMONIUM BROMIDE DIBROMIDESKL253NSC87897
Mono(N,N,N-trimethylbenzenaminium) tribromideMFCD00011789Ammonium, (tribromide)Trimethylphenylammoniumtribromidetrimethyl(phenyl)azanium;tribromideBenzenaminium,N,N-trimethyl-, (tribromide)EINECS 224-127-8NSC 87897

Database identifiers

CAS
4207-56-1
PubChem CID
77880
DTXSID
DTXSID30962263
UNII
9V4E7J2MSS
EC Number
224-127-8

Properties

Computed structural propertiesFilling in

Topological polar surface area
0 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
1
Heavy atoms
13
Formal charge
0
Complexity
95.8

Physicochemical properties

Melting point
110 · 110-115 °C (dec.) (lit.)
Density
2.2071 · 2.2071 (rough estimate)
refractive index
1.65 · 1.6500 (estimate)
storage temp.
2 · Inert atmosphere,2-8°C
solubility
10 mg/mL · ethanol: 10 mg/mL hot, clear
form
Crystalline Powder
color
Orange
Water Solubility
Insoluble
Sensitive
Hygroscopic
BRN
3919459 · 3919459
InChI
InChI=1S/C9H14N.Br3/c1-10(2,3)9-7-5-4-6-8-9;1-3-2/h4-8H,1-3H3;/q+1;-1
InChIKey
PRXNKYBFWAWBNZ-UHFFFAOYSA-N
SMILES
C1(C=CC=CC=1)[N+](C)(C)C.[Br-](Br)Br
CAS DataBase Reference
4207 · 4207-56-1(CAS DataBase Reference)
FDA UNII
9 V4E7J2MSS · 9V4E7J2MSS

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 · 4 items

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 5 notifications to the ECHA C&L Inventory.

Hazard information

Regulatory Information · 2 items

Chemical: Benzenaminium, N,N,N-trimethyl-, (tribromide)

Benzenaminium, N,N,N-trimethyl-, (tribromide): Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazard Classes and CategoriesSkin Corr. 1B (100%)

Safety data

PPE
Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
wgk
3
tsca
TSCA listed
ridadr
UN 3261 8/PG 2
hs_code
29239000
risk_code
34-37
Signal word
Danger
Symbol(GHS)
GHS05
hazard_code
C
safety_code
26-36/37/39-45-24/25
hazard_class
6.1(b)
Storage Class

Chemistry & industry

Pharmacology

MeSH Pharmacological Classification · 1 item

Substances used for the detection, identification, analysis, etc. of chemical, biological, or pathologic processes or conditions. Indicators are substances that change in physical appearance, e.g., color, at or approaching the endpoint of a chemical titration, e.g., on the passage between acidity and alkalinity. Reagents are substances used for the detection or determination of another substance by chemical or microscopical means, especially analysis. Types of reagents are precipitants, solvents, oxidizers, reducers, fluxes, and colorimetric reagents. (From Grant & Hackh's Chemical Dictionary, 5th ed, p301, p499)

Uses & manufacturing

General Manufacturing InformationBenzenaminium, N,N,N-trimethyl-, (tribromide) (1:1): ACTIVE

Applications

UsesPhenyltrimethylammonium tribromide is used as brominating reagent for 1,2-addition of bromine to the double bond of α,β-unsaturated compounds.

Upstream & downstream products

Upstream raw materials

Phenyltrimethylammonium bromide

Suppliers100 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]

Related reactions

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New reaction record

No reaction records under the current filter.

Compound notes

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On this pageBasic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
EPA Substance Registry System
Benzenaminium, N,N,N-trimethyl-, (tribromide) (4207-56-1)
UNSPSC Code
12352101 · 12352101
NACRES
22 · NA.22
Symbol(GHS)
5 · GHS05
Signal word
Danger
Hazard statements
314 · H314
Precautionary statements
260 · P260-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363
PPE
3 · Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
Hazard Codes
C
Risk Statements
34 · 34-37
Safety Statements
26 · 26-36/37/39-45-24/25
RIDADR
3261 · UN 3261 8/PG 2
WGK Germany
3 · 3
TSCA
TSCA listed
HazardClass
6.1 · 6.1(b)
PackingGroup
II
HS Code
29239000 · 29239000
Storage Class
8 A · 8A - Combustible corrosive hazardous materials
Hazard Classifications
1 B · Skin Corr. 1B
REACH Registrations
Active
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)
8A - Combustible corrosive hazardous materials
packing_group
II
Hazard statements
H314
Limited Quantities
1 Kg (2.2 lbs) (solid)
Excepted Quantities
Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
REACH Registrations
Active
Hazard Classifications
Skin Corr. 1B
Precautionary statements
P260-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
韶远科技(上海)有限公司4000665055 · [email protected]
科瑞迪化学400-821-5857 021-64326257 · [email protected]
青岛元桦新材料有限公司19015480862; 19015480862 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
阿法埃莎(中国)化学有限公司400-6106006 · [email protected]
安耐吉化学&3A(安徽泽升科技股份有限公司)400-0056266 · [email protected]
北京亿思研科技开发中心010-56645598 13366904824 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
上海相辉医药科技有限公司13761987713 · [email protected]
嘉兴市艾森化工有限公司0573-85285100 18627885956 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
玛雅试剂+86 (573) 82222445 (0)18006601000 452520369 · [email protected]
四川库利南科技有限公司400-1166-196 18981987031 · [email protected]
天津希恩思生化科技有限公司400 638 7771 · [email protected]
湖南汇百侍生物科技有限公司0731-85526065 13308475853 · [email protected]
淄博润恒生物科技有限公司13561657928 13561657928 · [email protected]
艾科试剂4008-755-333 18080918076 · [email protected]
深圳法默科技有限公司0755-86648230 · [email protected]
上海思域化工科技有限公司86-21-34053660 · [email protected]
赛默飞世尔科技(中国)有限公司800-810-5118 · [email protected]
北京伊诺凯科技有限公司400-810-7969 010-59572699 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
上海贤鼎生物科技有限公司4009209199 · [email protected]
上海卓锐化工有限公司021-69180038 · [email protected]
无锡中坤生化科技有限公司+86 0510-85629785
上海将来实业股份有限公司400-0066400 13621662912 · [email protected]
HBCChem, Inc.+1-510-219-6317 · [email protected]
郑州鸿晟医药科技有限公司0371-0371-13526885213 15637198702 · [email protected]
上海爱蝶实业有限公司021-58957966 18930537195 · [email protected]
成都零六生物科技有限公司400-1166-196 13458535857 · [email protected]
广拓化学(上海)有限公司021-60899189-8001 18918189673 · [email protected]
雷丁试剂0510-85629785 18013409632 · [email protected]
上海鑫圭生物科技有限公司15121041756 · [email protected]
上海麦克林生化科技股份有限公司15221275939 15221275939 · [email protected]
上海嵩爰化工科技有限公司010-1234567 18521000990 · [email protected]
上海有朋化工有限公司021-69005955 13701776567 · [email protected]
北京海力扬化学科技有限公司13718199399 · [email protected]
北京欣赛维化学科技有限公司010-56218822 13717722232 · [email protected]
四川海诺威科技有限公司13708085536 13708085536 · [email protected]
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
上海凯赛化工有限公司021-33516722 13701817869 · [email protected]
上海彤源化工有限公司021-021-69182866 13701855675 · [email protected]
凯试(上海)科技有限公司021-50135380 · [email protected]