CAS 1823-91-2 2-Phenylpropionitrile (HCID 15761)

이름 및 식별자

우선 이름: 2-Phenylpropionitrile
IUPAC: 2-phenylpropanenitrile
영어명: alpha-Methylphenylacetonitrile
분자식: C9H9N
분자량: 131.17

이름 및 동의어

1823-91-22-PHENYLPROPIONITRILEBenzeneacetonitrile, alpha-methyl-DTXSID10870913RefChem:89101DTXCID30818594217-354-92-Phenylpropanenitrilealpha-Methylphenylacetonitrilealpha-Methylbenzyl cyanideHydratroponitrileMFCD00001871

이름 더 보기

alpha-MethylbenzylBenzeneacetonitrile, α-Methyl-NSC 11264NSC 374853-Benzoyl-αα-CyanoethylbenzeneA-METHYLBENZYL CYANIDEà-methylbenzyl cyanide

Benzeneacetonitrile, .alpha.-methyl-A-Methylphenylacetonitrile.alpha.-Phenylpropionitrile.alpha.-Phenylethyl cyanide.alpha.-Methylbenzyl cyanide2-Phenylpropiononitrilea-methylbenzylcyanidealpha-Phenylpropionitrile

데이터베이스 식별자

CAS: 1823-91-2
PubChem CID: 15761
DTXSID: DTXSID10870913
EC Number: 217-354-9
Nikkaji: J76.365I

물성

구조 계산 물성

XLogP: 2.1
극성 표면적: 23.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 1
무거운 원자 수: 10
형식 전하: 0
복잡도: 136

실험 및 물리화학적 성질

Kovats Retention Index · 2건

1227

2038

물리화학적 성질

녹는점: 210 °C · 210 °C(Solv: ethyl ether (60-29-7); chloroform (67-66-3))
끓는 점: 231 °C · 231 °C
밀도: 0.985 g/mL · 0.985 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.5106(lit.)
인화점: 201 °F · 201 °F
저장 조건: Sealed in dry,Room Temperature
용해도: 클로로포름에 용해됨
물리적 상태: 기름
색상: 맑은 연한 노란색
BRN: 774576 · 774576
InChI: 1S/C9H9N/c1-8(7-10)9-5-3-2-4-6-9/h2-6,8H,1H3
InChIKey: NVAOLENBKNECGF-UHFFFAOYSA-N
SMILES: CC(C#N)c1ccccc1
EPA: Benzeneacetonitrile, .alpha.-methyl- (1823-91-2)

화학적 성질

CLEAR VERY SLIGHTLY YELLOW LIQUID

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H301 (10%): Toxic if swallowed [Danger Acute toxicity, oral]；H302 (90%): Harmful if swallowed [Warning Acute toxicity, oral]；H311 (10%): Toxic in contact with skin [Danger Acute toxicity, dermal]；H312 (90%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (96%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (98%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H331 (10%): Toxic if inhaled [Danger Acute toxicity, inhalation]；H332 (90%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (84%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 50 reports by companies from 9 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.

유해성 정보

Regulatory InformationStatus: Active Update: 12-07-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/29457

Hazard Classes and CategoriesAcute Tox. 3 (10%)；Acute Tox. 4 (90%)；Acute Tox. 3 (10%)；Acute Tox. 4 (90%)；Skin Irrit. 2 (96%)；Eye Irrit. 2 (98%)；Acute Tox. 3 (10%)；Acute Tox. 4 (90%)；STOT SE 3 (84%)

규제 정보

Regulatory InformationStatus: Active Update: 12-07-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/29457

안전 데이터

wgk: 3
tsca: TSCA listed
ridadr: UN 3276 6.1/PG 3
HS 번호: 29269090
risk_code: 20/21/22-36/37/38
hazard_code: Xn,Xi
safety_code: 26-27-37/39
포장분류: III
위험 등급: 6.1
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects