59012-23-6

59012-23-6 structure
59012-23-6 structure
  • Name: 1-Iodo(2H7)propane
  • Chemical Name: 1,1,1,2,2,3,3-heptadeuterio-3-iodopropane
  • CAS Number: 59012-23-6
  • Molecular Formula: C3D7I
  • Molecular Weight: 177.035
  • Catalog: Research Areas Others
  • Create Date: 2018-02-10 08:00:00
  • Modify Date: 2024-01-09 11:56:00
  • 1-Iodopropane-d7 is the deuterium labeled 1-Iodopropane[1].

Name 1,1,1,2,2,3,3-heptadeuterio-3-iodopropane
Synonyms d7-1-iodopropane
iodopropane-d7
Propane-1,1,2,2,3,3,3-d, 1-iodo-
1-iodo-heptadeuteriopropane
1-Iodopropane-d7
1-Iodo(H)propane
Propyl-d7 iodide
1,1,1,2,2,3,3-heptadeuterio-3-iodo-propane
Description 1-Iodopropane-d7 is the deuterium labeled 1-Iodopropane[1].
Related Catalog
Density 1.8±0.1 g/cm3
Boiling Point 102.9±3.0 °C at 760 mmHg
Melting Point -101ºC(lit.)
Molecular Formula C3D7I
Molecular Weight 177.035
Flash Point 44.4±0.0 °C
Exact Mass 177.003174
LogP 2.56
Vapour Pressure 38.2±0.2 mmHg at 25°C
Index of Refraction 1.509

SECTION 1: Identification of the substance/mixture and of the company/undertaking
Product identifiers
Product name: 1-Iodopropane-d7
REACH No.: A registration number is not available for this substance as the substance
or its uses are exempted from registration, the annual tonnage does not
require a registration or the registration is envisaged for a later
registration deadline.
CAS-No.: 59012-23-6
Relevant identified uses of the substance or mixture and uses advised against
Identified uses: Laboratory chemicals, Manufacture of substances



SECTION 2: Hazards identification
Classification of the substance or mixture
Classification according to Regulation (EC) No 1272/2008
Flammable liquids (Category 3), H226
Acute toxicity, Inhalation (Category 3), H331
Skin irritation (Category 2), H315
Eye irritation (Category 2), H319
Specific target organ toxicity - single exposure (Category 3), H335
For the full text of the H-Statements mentioned in this Section, see Section 16.
Classification according to EU Directives 67/548/EEC or 1999/45/EC
Xn HarmfulR10, R20, R36/37/38
For the full text of the R-phrases mentioned in this Section, see Section 16.
Label elements
Labelling according Regulation (EC) No 1272/2008
Pictogram
Signal wordDanger
Hazard statement(s)
H226Flammable liquid and vapour.
H315Causes skin irritation.
H319Causes serious eye irritation.
H331Toxic if inhaled.
H335May cause respiratory irritation.
Precautionary statement(s)
P261Avoid breathing dust/ fume/ gas/ mist/ vapours/ spray.
P305 + P351 + P338IF IN EYES: Rinse cautiously with water for several minutes. Remove
contact lenses, if present and easy to do. Continue rinsing.
P311Call a POISON CENTER or doctor/ physician.
Supplemental Hazardnone
Statements
Other hazards - none

SECTION 3: Composition/information on ingredients
Substances
Chemical characterization : Isotopically labeled
Synonyms: Propyl-d7 iodide
Formula: C3D7I
Molecular Weight: 177,04 g/mol
CAS-No.: 59012-23-6
Hazardous ingredients according to Regulation (EC) No 1272/2008
ComponentClassificationConcentration
1-Iodopropane-d7
CAS-No.59012-23-6Flam. Liq. 3; Acute Tox. 3;<= 100 %
Skin Irrit. 2; Eye Irrit. 2; STOT
SE 3; H226, H315, H319,
H331, H335
Hazardous ingredients according to Directive 1999/45/EC
ComponentClassificationConcentration
1-Iodopropane-d7
CAS-No.59012-23-6Xn, R10 - R20 - R36/37/38<= 100 %
For the full text of the H-Statements and R-Phrases mentioned in this Section, see Section 16

SECTION 4: First aid measures
Description of first aid measures
General advice
Consult a physician. Show this safety data sheet to the doctor in attendance.
If inhaled
If breathed in, move person into fresh air. If not breathing, give artificial respiration. Consult a physician.
In case of skin contact
Wash off with soap and plenty of water. Take victim immediately to hospital. Consult a physician.
In case of eye contact
Rinse thoroughly with plenty of water for at least 15 minutes and consult a physician.
If swallowed
Do NOT induce vomiting. Never give anything by mouth to an unconscious person. Rinse mouth with
water. Consult a physician.
Most important symptoms and effects, both acute and delayed
The most important known symptoms and effects are described in the labelling (see section 2.2) and/or in
section 11
Indication of any immediate medical attention and special treatment needed
no data available

SECTION 5: Firefighting measures
Extinguishing media
Suitable extinguishing media
For small (incipient) fires, use media such as "alcohol" foam, dry chemical, or carbon dioxide. For large
fires, apply water from as far as possible. Use very large quantities (flooding) of water applied as a mist or
spray; solid streams of water may be ineffective. Cool all affected containers with flooding quantities of
water.
Special hazards arising from the substance or mixture
Carbon oxides, Hydrogen iodide
Advice for firefighters
Wear self contained breathing apparatus for fire fighting if necessary.
Further information
Use water spray to cool unopened containers.

SECTION 6: Accidental release measures
Personal precautions, protective equipment and emergency procedures
Wear respiratory protection. Avoid breathing vapours, mist or gas. Ensure adequate ventilation. Remove
all sources of ignition. Evacuate personnel to safe areas. Beware of vapours accumulating to form
explosive concentrations. Vapours can accumulate in low areas.
For personal protection see section 8.
Environmental precautions
Prevent further leakage or spillage if safe to do so. Do not let product enter drains.
Methods and materials for containment and cleaning up
Contain spillage, and then collect with an electrically protected vacuum cleaner or by wet-brushing and
place in container for disposal according to local regulations (see section 13).
Reference to other sections
For disposal see section 13.

SECTION 7: Handling and storage
Precautions for safe handling
Avoid contact with skin and eyes. Avoid inhalation of vapour or mist.
Keep away from sources of ignition - No smoking.Take measures to prevent the build up of electrostatic
charge.
For precautions see section 2.2.
Conditions for safe storage, including any incompatibilities
Store in cool place. Keep container tightly closed in a dry and well-ventilated place. Containers which are
opened must be carefully resealed and kept upright to prevent leakage.
Store under inert gas. hygroscopic
Light sensitive.
Specific end use(s)
A part from the uses mentioned in section 1.2 no other specific uses are stipulated

SECTION 8: Exposure controls/personal protection
Control parameters
Components with workplace control parameters
Exposure controls
Appropriate engineering controls
Avoid contact with skin, eyes and clothing. Wash hands before breaks and immediately after handling
the product.
Personal protective equipment
Eye/face protection
Face shield and safety glasses Use equipment for eye protection tested and approved under
appropriate government standards such as NIOSH (US) or EN 166(EU).
Skin protection
Handle with gloves. Gloves must be inspected prior to use. Use proper glove removal technique
(without touching glove's outer surface) to avoid skin contact with this product. Dispose of
contaminated gloves after use in accordance with applicable laws and good laboratory practices.
Wash and dry hands.
The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and
the standard EN 374 derived from it.
Body Protection
Complete suit protecting against chemicals, Flame retardant antistatic protective clothing, The type
of protective equipment must be selected according to the concentration and amount of the
dangerous substance at the specific workplace.
Respiratory protection
Where risk assessment shows air-purifying respirators are appropriate use a full-face respirator
with multi-purpose combination (US) or type ABEK (EN 14387) respirator cartridges as a backup
to engineering controls. If the respirator is the sole means of protection, use a full-face supplied air
respirator. Use respirators and components tested and approved under appropriate government
standards such as NIOSH (US) or CEN (EU).
Control of environmental exposure
Prevent further leakage or spillage if safe to do so. Do not let product enter drains.

SECTION 9: Physical and chemical properties
Information on basic physical and chemical properties
a) AppearanceForm: clear, liquid
Colour: colourless
b) Odourcharacteristic
c) Odour Thresholdno data available
d) pHno data available
e) Melting point/freezingMelting point/range: -101 °C - lit.
point
f) Initial boiling point and 101 - 102 °C - lit.
boiling range
g) Flash point44 °C - closed cup
h) Evapouration rateno data available
i) Flammability (solid, gas) no data available
j) Upper/lowerno data available
flammability or
explosive limits
k) Vapour pressure57 hPa at 25 °C
l) Vapour densityno data available
m) Relative density1,82 g/cm3 at 25 °C
n) Water solubility1,1 g/l at 20 °C
o) Partition coefficient: n- no data available
octanol/water
p) Auto-ignitionno data available
temperature
q) Decompositionno data available
temperature
r) Viscosityno data available
s) Explosive propertiesno data available
t) Oxidizing propertiesno data available
Other safety information
no data available

SECTION 10: Stability and reactivity
Reactivity
no data available
Chemical stability
Stable under recommended storage conditions.
Possibility of hazardous reactions
no data available
Conditions to avoid
May discolor on exposure to air and light.
Heat, flames and sparks.
Incompatible materials
Strong oxidizing agents, Strong bases, Alkali metals
Hazardous decomposition products
Other decomposition products - no data available
In the event of fire: see section 5

SECTION 11: Toxicological information
Information on toxicological effects
Acute toxicity
no data available
Skin corrosion/irritation
no data available
Serious eye damage/eye irritation
no data available
Respiratory or skin sensitisation
no data available
Germ cell mutagenicity
Carcinogenicity
IARC:No component of this product present at levels greater than or equal to 0.1% is identified as
probable, possible or confirmed human carcinogen by IARC.
Reproductive toxicity
Specific target organ toxicity - single exposure
May cause respiratory irritation.
Specific target organ toxicity - repeated exposure
no data available
Aspiration hazard
no data available
Additional Information
RTECS: Not available
Symptoms of exposure may include burning sensation, coughing, wheezing, laryngitis, shortness of breath,
headache, nausea, and vomiting., To the best of our knowledge, the chemical, physical, and toxicological
properties have not been thoroughly investigated.

SECTION 12: Ecological information
Toxicity
no data available
Persistence and degradability
no data available
Bioaccumulative potential
no data available
Mobility in soil
no data available
Results of PBT and vPvB assessment
PBT/vPvB assessment not available as chemical safety assessment not required/not conducted
Other adverse effects
no data available

SECTION 13: Disposal considerations
Waste treatment methods
Product
Burn in a chemical incinerator equipped with an afterburner and scrubber but exert extra care in igniting
as this material is highly flammable. Offer surplus and non-recyclable solutions to a licensed disposal
company. Contact a licensed professional waste disposal service to dispose of this material.
Contaminated packaging
Dispose of as unused product.

SECTION 14: Transport information
UN number
ADR/RID: 2392IMDG: 2392IATA: 2392
UN proper shipping name
ADR/RID: IODOPROPANES
IMDG: IODOPROPANES
IATA:Iodopropanes
Transport hazard class(es)
ADR/RID: 3IMDG: 3IATA: 3
Packaging group
ADR/RID: IIIIMDG: IIIIATA: III
Environmental hazards
ADR/RID: yesIMDG Marine pollutant: yesIATA: no
Special precautions for user
no data available



SECTION 15 - REGULATORY INFORMATION
N/A


SECTION 16 - ADDITIONAL INFORMATION
N/A
Symbol GHS02 GHS06
GHS02, GHS06
Signal Word Danger
Hazard Statements H226-H315-H319-H331-H335
Precautionary Statements P261-P305 + P351 + P338-P311
Hazard Codes Xn
Risk Phrases R10
Safety Phrases 16-26-36/37
RIDADR UN 2392 3/PG 3

~25%

59012-23-6 structure

59012-23-6

Literature: AUSPEX PHARMACEUTICALS, INC.; RAO, Tadimeti; ZHANG, Chengzhi Patent: WO2011/17108 A2, 2011 ; Location in patent: Page/Page column 53 ; WO 2011/017108 A2
Precursor  1

DownStream  0