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Bromomethylenecyclohexane

HCID 565381
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Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
1121-49-9
Standard SMILES
BrC=C1CCCCC1
InChIKey
OVYGOCFMWWWMBP-UHFFFAOYSA-N
Molecular formula
C7H11Br
Average molar mass
175.07 g/mol
Monoisotopic mass
174.00441

Names & identifiers

Preferred name
Bromomethylenecyclohexane
IUPAC
bromomethylidenecyclohexane
English name
BROMOMETHYLENECYCLOHEXANE 96
Molecular formula
C7H11Br
Molecular weight
175.07

Names & synonyms

Bromomethylenecyclohexane1121-49-9DTXSID40340518RefChem:570372DTXCID20291599625-388-4(Bromomethylene)cyclohexanebromomethylidenecyclohexane(bromomethylidene)cyclohexaneBROMOMETHYLENECYCLOHEXANE 96Cyclohexane, (bromomethylene)-(Bromomethylene)cyclohexane #
Show more names
BROMOMETHYLENECYCLOHEXANE 96BROMOMETHYLENECYCLOHEXANE 96 ISO 9001:2015 REACH
Bromomethylenecyclohexane, 96%SCHEMBL4156145AKOS015913460I84671F577450

Database identifiers

CAS
1121-49-9
PubChem CID
565381
DTXSID
DTXSID40340518
EC Number
625-388-4
Nikkaji
J668.639G

Properties

Computed structural properties

XLogP
3
Topological polar surface area
0 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
0
Rotatable bonds
0
Heavy atoms
8
Formal charge
0
Complexity
86.6

Physicochemical properties

Boiling point
72 · 72-80 °C/15 mmHg (lit.)
Density
1.326 g/mL · 1.326 g/mL at 25 °C (lit.)
refractive index
20 · n20/D 1.5172(lit.)
Flash point
130 °F · 130 °F
InChI
1S/C7H11Br/c8-6-7-4-2-1-3-5-7/h6H,1-5H2
InChIKey
OVYGOCFMWWWMBP-UHFFFAOYSA-N
SMILES
Br\C=C1\CCCCC1
UNSPSC Code
12352100 · 12352100
NACRES
22 · NA.22
Symbol(GHS)
2 · GHS02,GHS07
Signal word
Warning
Hazard statements
226 · H226-H319
Precautionary statements
305 · P305+P351+P338
PPE
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Risk Statements
10 · 10
Safety Statements
16 · 16
RIDADR
1993 · UN 1993 3/PG 3
WGK Germany
3 · 3
Storage Class
3 · 3 - Flammable liquids
Hazard Classifications
3 · Flam. Liq. 3

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

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesFlam. Liq. 3 (100%)

Safety data

PPE
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk
3
ridadr
UN 1993 3/PG 3
risk_code
10
Signal word
Warning
Symbol(GHS)
GHS02,GHS07
safety_code
16
Storage Class
3 - Flammable liquids
Hazard statements
H226-H319
Hazard Classifications
Flam. Liq. 3
Precautionary statements
P305+P351+P338

Chemistry & industry

Upstream & downstream products

Upstream raw materials

Cyclohexane, methyl-, radical ion(1+)Cyclohexylmethyl bromide

Downstream products

1-METHYL-1-CYCLOHEXENE

Suppliers12 total

河北贝克曼生物科技有限公司15961617865 15961617865 · [email protected]
安耐吉化学&3A(安徽泽升科技股份有限公司)400-0056266 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
上海旭晗化学科技有限公司15921303235 · [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]
陕西缔都医药化工有限公司+86-29-81139210 +86-17392587031 · [email protected]
成都标样生物科技有限公司028-81700200 13308200041 · [email protected]
江苏阿贝力科技有限公司18901580598 · [email protected]
嘉兴瑞恒生物科技有限公司0573-0573-82672231 13757365595 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
宝鸡缔都医药化工有限公司029-029-81148929 17792602132 · [email protected]

Related reactions

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Compound notes

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